Drug Information

Drug General Information
Drug ID
D00PVQ
Former ID
DNC001382
Drug Name
Molecule 20
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535375]
Structure
Download
2D MOL

3D MOL
Formula
C18H17NO5
Canonical SMILES
COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC
InChI
1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
InChIKey
NZHGWWWHIYHZNX-CSKARUKUSA-N
CAS Number
CAS 53902-12-8
PubChem Compound ID
5282230
PubChem Substance ID
855567, 7849089, 8616956, 12013287, 14801725, 17405845, 24278719, 26612911, 26680238, 26719641, 26759646, 39315705, 46386750, 47589114, 47810891, 47885539, 48416652, 49645767, 49684379, 49700724, 49887093, 50103918, 50103919, 50103920, 53778299, 56422140, 57288861, 57358583, 75624513, 85231347, 85789432, 87870631, 89850281, 90341124, 92303237, 92308202, 92308335, 92308903, 92711430, 99437152, 99444086, 103330746, 107388281, 113856723, 118303066, 121362071, 124637814, 124757248, 124799410, 124883425
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [535375]
KEGG Pathway Steroid hormone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Glycosphingolipid metabolism
WikiPathways Estrogen metabolism
Vitamin D Receptor Pathway
Sphingolipid metabolism
References
Ref 535375Review of estrone sulfatase and its inhibitors--an important new target against hormone dependent breast cancer. Curr Med Chem. 2002 Jan;9(2):263-73.
Ref 535375Review of estrone sulfatase and its inhibitors--an important new target against hormone dependent breast cancer. Curr Med Chem. 2002 Jan;9(2):263-73.

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