Details of the Drug

General Information of Drug (ID: DMLMV1Y)

Drug Name
US10040779, Example 1
Synonyms SCHEMBL15792304; US10040779, Example 1; BDBM277704; 3-[(1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 268.27
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H12N4O2
IUPAC Name
3-[(1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid
Canonical SMILES
CN1C2=CC=CC=C2C(=N1)NC3=C(C=CN=C3)C(=O)O
InChI
InChI=1S/C14H12N4O2/c1-18-12-5-3-2-4-10(12)13(17-18)16-11-8-15-7-6-9(11)14(19)20/h2-8H,1H3,(H,16,17)(H,19,20)
InChIKey
CPZUCKVTDNNRCJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
76282043
TTD ID
D0VZ5E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysine-specific demethylase 5A (KDM5A) TTIG67W KDM5A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Histone demethylase inhibitors. US10040779.