Details of the Drug

General Information of Drug (ID: DMJKTYW)

Drug Name
US10174026, Example 99
Synonyms SCHEMBL16157351; BDBM320432; US10174026, Example 99; 2-(pyrrolidin-1-ylcarbonyl)-1H- pyrrolo[3,2-b]pyridine-7- carboxylic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 259.26
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H13N3O3
IUPAC Name
2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
Canonical SMILES
C1CCN(C1)C(=O)C2=CC3=NC=CC(=C3N2)C(=O)O
InChI
InChI=1S/C13H13N3O3/c17-12(16-5-1-2-6-16)10-7-9-11(15-10)8(13(18)19)3-4-14-9/h3-4,7,15H,1-2,5-6H2,(H,18,19)
InChIKey
YVSBFLGSNJSZJQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
85469291
TTD ID
D0N9JZ

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. US10174026.