Details of the Drug

General Information of Drug (ID: DM0P2U3)

Drug Name
AKOS003197197
Synonyms CHEMBL3207533; SCHEMBL16922115; AKOS003197197
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 222.63
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H7ClN6
IUPAC Name
N-[(E)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
Canonical SMILES
C1=CC(=CC=C1/C=N/NC2=NNN=N2)Cl
InChI
InChI=1S/C8H7ClN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5+
InChIKey
SZFUMFNPTAQHAI-BJMVGYQFSA-N
Cross-matching ID
PubChem CID
9693619
ChEBI ID
CHEMBL3207533
TTD ID
D06BHM
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
Cystathionine gamma-lyase (CTH) TTLQUZS CGL_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cystathionine--lyase (CSE) inhibitors. US9725426.