Details of the Drug

General Information of Drug (ID: DMX2K8R)

Drug Name
4-(7-methyl-1-propyl-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): 0 Molecular Weight (mw) 266.34
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H18N2O
IUPAC Name
4-(7-methyl-1-propylindazol-3-yl)phenol
Canonical SMILES
CCCN1C2=C(C=CC=C2C(=N1)C3=CC=C(C=C3)O)C
InChI
InChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3
InChIKey
KGNRBLHSFFCQIN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135511848
CAS Number
680611-32-9
TTD ID
D0J6KN

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.