Details of the Drug

General Information of Drug (ID: DMVCWXD)

Drug Name
US10022354, Example 151
Synonyms SCHEMBL19513974; CHEMBL4060968; BDBM281211; US10022354, Example 151
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.36
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H22N4O2
IUPAC Name
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
Canonical SMILES
CC(C)C1=CC(=NN1)C(=O)N2CCC(C2)NC(=O)C3CC3
InChI
InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)
InChIKey
CXEXTVGTDZRKJS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132054530
ChEBI ID
CHEMBL4060968
TTD ID
D03POM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 IRE-1 inhibitors