Details of the Drug

General Information of Drug (ID: DMJBEIF)

Drug Name
5-phenyl-1H-indazol-3-amine
Synonyms 5-phenyl-1H-indazol-3-amine; CHEMBL500779; SCHEMBL3359889; 3e63; BDBM50254831; DB07161
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) 209.25
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H11N3
IUPAC Name
5-phenyl-1H-indazol-3-amine
Canonical SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)NN=C3N
InChI
InChI=1S/C13H11N3/c14-13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
InChIKey
ZCUSNQPYUNLATP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11492186
DrugBank ID
DB07161
TTD ID
D0I3EY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Janus kinase 2 (JAK-2) TTRMX3V JAK2_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.