PCIDB

KNApSAcK Metabolite C00002245

Metabolite

KNApSAcK Entry

id C00002245
Name Cyclopamine
CAS RN 4449-51-8
Standard InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 1844

Link

ChEMBL

By standard InChI CHEMBL254129
By standard InChI Main Layer CHEMBL254129 CHEMBL1590308 CHEMBL2132004

KEGG

By LinkDB C10798

CTD

By CAS RN C000541

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q15465 Sonic hedgehog protein Unclassified protein CHEMBL254129 CHEMBL2155375 (1)
4 / 5
P11473 Vitamin D3 receptor NR1I1 CHEMBL254129 CHEMBL1953630 (1) CHEMBL1953631 (1)
2 / 3
P08151 Zinc finger protein GLI1 Unclassified protein CHEMBL254129 CHEMBL1026025 (1)
0 / 0
P30518 Vasopressin V2 receptor Vasopressin and oxytocin receptor CHEMBL254129 CHEMBL2162711 (1)
2 / 2
Q99835 Smoothened homolog Smoothened receptor (frizzled family GPCR) CHEMBL254129 CHEMBL1029071 (1) CHEMBL2032860 (1)
CHEMBL2032861 (1) CHEMBL2033031 (1)
CHEMBL2033036 (1) CHEMBL2162705 (1)
CHEMBL2162713 (1)
0 / 1
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL254129 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL254129 CHEMBL1613933 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#304800 Diabetes insipidus, nephrogenic, x-linked P30518
#142945 Holoprosencephaly 3; hpe3 Q15465
#611638 Microphthalmia, isolated, with coloboma 5; mcopcb5 Q15465
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#300539 Nephrogenic syndrome of inappropriate antidiuresis; nsiad P30518
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#174500 Polydactyly, preaxial ii; ppd2 Q15465
#147250 Solitary median maxillary central incisor; smmci Q15465
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (14)

KEGG disease name UniProt
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00252 Congenital nephrogenic diabetes insipidus (NDI) P30518 (related)
H01294 Nephrogenic syndrome of inappropriate antidiuresis (NSIAD) P30518 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00039 Basal cell carcinoma Q15465 (related)
Q99835 (related)
H00267 Holoprosencephaly (HPE) Q15465 (related)
H00652 Solitary median maxillary central incisor syndrome Q15465 (related)
H01027 Anophthalmia and microphthalmia (A/M) Q15465 (related)
H01160 Schizencephaly Q15465 (related)

Diseases related to CTD interactions

8 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D000014 C000541 Abnormalities, Drug-Induced marker/mechanism
17728282
D002971 C000541 Cleft Lip marker/mechanism
18411234
D002972 C000541 Cleft Palate marker/mechanism
18411234
D019465 C000541 Craniofacial Abnormalities marker/mechanism
17728282
D004487 C000541 Edema marker/mechanism
22265815
D016142 C000541 Holoprosencephaly marker/mechanism
22265815
D007569 C000541 Jaw Abnormalities marker/mechanism
16580747
D049188 C000541 Prenatal Injuries marker/mechanism
22265815