Details of the Drug

General Information of Drug (ID: DMNV9H5)

Drug Name
4-(1-benzyl-7-chloro-1H-indazol-3-yl)phenol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 334.8
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H15ClN2O
IUPAC Name
4-(1-benzyl-7-chloroindazol-3-yl)phenol
Canonical SMILES
C1=CC=C(C=C1)CN2C3=C(C=CC=C3Cl)C(=N2)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChIKey
DPRKSCQCEZRMAF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135503667
CAS Number
680613-14-3
TTD ID
D09WEK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and activity of substituted 4-(indazol-3-yl)phenols as pathway-selective estrogen receptor ligands useful in the treatment of rheumatoid ... J Med Chem. 2004 Dec 16;47(26):6435-8.