Details of the Drug

General Information of Drug (ID: DMHGRPB)

Drug Name
4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
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) 242.23
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H10N2O3
IUPAC Name
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Canonical SMILES
C1=CC2=C(C=C1O)NN=C2C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)
InChIKey
WLDZDEMGKFWJNR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135566322
CAS Number
117767-16-5
DrugBank ID
DB08048
TTD ID
D0K5LX

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 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.