PCIDB

KNApSAcK Metabolite C00002173

Metabolite

KNApSAcK Entry

id C00002173
Name Hydroquinidine
CAS RN 1435-55-8
Standard InChI InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3

Cluster

Phytochemical cluster No. 7
KCF-S cluster No. 1378

Link

ChEMBL

By standard InChI CHEMBL531472
By standard InChI Main Layer CHEMBL531471 CHEMBL531472 CHEMBL588934 CHEMBL602767 CHEMBL1436416 CHEMBL1531111 CHEMBL1617471 CHEMBL1740727 CHEMBL1906890 CHEMBL2079611 CHEMBL2092739 CHEMBL2305514 CHEMBL2355802

KEGG

By LinkDB C10696

CTD

By CAS RN C014486

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1531111 CHEMBL2079611 CHEMBL2092739 CHEMBL729206 (2) CHEMBL1614110 (1)
1 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL1531111 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1436416 CHEMBL2092739 CHEMBL1614458 (2)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1436416 CHEMBL2092739 CHEMBL1613910 (2)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1436416 CHEMBL2092739 CHEMBL1614038 (2)
2 / 2
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1436416 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1436416 CHEMBL2092739 CHEMBL1613914 (2)
0 / 0
O00255 Menin Unclassified protein CHEMBL1436416 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1436416 CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (12)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#119900 Digital clubbing, isolated congenital P15428
#608902 Drug metabolism, poor, cyp2d6-related P10635
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255

KEGG DISEASE (15)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00036 Osteosarcoma P08684 (marker)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)

Diseases related to CTD interactions

4 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D064420 C014486 Drug-Related Side Effects and Adverse Reactions marker/mechanism
12701389
D006099 C014486 Granuloma marker/mechanism
3732735
D006505 C014486 Hepatitis marker/mechanism
3732735
D007565 C014486 Jaundice marker/mechanism
3732735