PCIDB

KNApSAcK Metabolite C00027512

Metabolite

KNApSAcK Entry

id C00027512
Name Adlumidine / (+)-Adlumidine
CAS RN 55-49-2
Standard InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 605

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL417990 CHEMBL1316579 CHEMBL1437488 CHEMBL1444722

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

30 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1316579 CHEMBL1437488 CHEMBL1614110 (3) CHEMBL1741321 (1)
1 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1437488 CHEMBL1614544 (1)
11 / 10
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1316579 CHEMBL1437488 CHEMBL1614281 (2) CHEMBL1614361 (3)
3 / 2
P14867 Gamma-aminobutyric acid receptor subunit alpha-1 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1) CHEMBL966819 (1)
CHEMBL966820 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1316579 CHEMBL1437488 CHEMBL1614027 (3) CHEMBL1741325 (1)
0 / 1
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1437488 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL417990 CHEMBL2114843 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL417990 CHEMBL1794401 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1437488 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1316579 CHEMBL1437488 CHEMBL1613777 (4) CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1437488 CHEMBL1444722 CHEMBL1614108 (2) CHEMBL1613886 (2)
CHEMBL1741324 (1)
0 / 1
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL417990 CHEMBL1738442 (1)
0 / 0
Q9UN88 Gamma-aminobutyric acid receptor subunit theta GABA-A theta CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P28472 Gamma-aminobutyric acid receptor subunit beta-3 GABA-A beta CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
1 / 0
P48169 Gamma-aminobutyric acid receptor subunit alpha-4 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
O14764 Gamma-aminobutyric acid receptor subunit delta GABA-A delta CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
1 / 1
P31644 Gamma-aminobutyric acid receptor subunit alpha-5 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
Q99928 Gamma-aminobutyric acid receptor subunit gamma-3 GABA-A gamma CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P78334 Gamma-aminobutyric acid receptor subunit epsilon GABA-A epsilon CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
Q8N1C3 Gamma-aminobutyric acid receptor subunit gamma-1 GABA-A gamma CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P34903 Gamma-aminobutyric acid receptor subunit alpha-3 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
O00591 Gamma-aminobutyric acid receptor subunit pi GABA-A pi CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P47870 Gamma-aminobutyric acid receptor subunit beta-2 GABA-A beta CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P18507 Gamma-aminobutyric acid receptor subunit gamma-2 GABA-A gamma CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
4 / 2
P18505 Gamma-aminobutyric acid receptor subunit beta-1 GABA-A beta CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
Q16445 Gamma-aminobutyric acid receptor subunit alpha-6 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
0 / 0
P47869 Gamma-aminobutyric acid receptor subunit alpha-2 GABA-A alpha CHEMBL417990 CHEMBL681949 (1) CHEMBL681951 (1)
CHEMBL685366 (1)
1 / 0
Q9NY46 Sodium channel protein type 3 subunit alpha SCN alpha, NaV1.x CHEMBL417990 CHEMBL806154 (1)
0 / 0
Q99250 Sodium channel protein type 2 subunit alpha SCN alpha, NaV1.x CHEMBL417990 CHEMBL806154 (1)
2 / 2
P35498 Sodium channel protein type 1 subunit alpha SCN alpha, NaV1.x CHEMBL417990 CHEMBL806154 (1)
3 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (28)

OMIM preferred title UniProt
#103780 Alcohol dependence P47869
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#607208 Dravet syndrome P18507
P35498
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#607681 Epilepsy, childhood absence, susceptibility to, 2; eca2 P18507
#612269 Epilepsy, childhood absence, susceptibility to, 5; eca5 P28472
#613060 Epilepsy, idiopathic generalized, susceptibility to, 10; eig10 O14764
#611136 Epilepsy, juvenile myoclonic, susceptibility to, 5; ejm5 P14867
#613721 Epileptic encephalopathy, early infantile, 11; eiee11 Q99250
#604233 Generalized epilepsy with febrile seizures plus, type 1; gefsp1 P18507
#604403 Generalized epilepsy with febrile seizures plus, type 2; gefsp2 P35498
#611277 Generalized epilepsy with febrile seizures plus, type 3; gefsp3 P18507
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#609634 Migraine, familial hemiplegic, 3; fhm3 P35498
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545
#607745 Seizures, benign familial infantile, 3; bfis3 Q99250

KEGG DISEASE (20)

KEGG disease name UniProt
H00783 Febrile seizures O14764 (related)
P18507 (related)
P35498 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00808 Idiopathic generalized epilepsies (IGEs) P14867 (related)
P18507 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00775 Familial or sporadic hemiplegic migraine P35498 (related)
H00606 Early infantile epileptic encephalopathy Q99250 (related)
H00806 Benign familial neonatal and infantile epilepsies Q99250 (related)