Details of the Drug

General Information of Drug (ID: DMAIJSX)

Drug Name
L-701324
Synonyms
L-701324; 142326-59-8; L-701,324; L 701324; UNII-I9WY146163; C21H14ClNO3; L 701,324; CHEMBL31741; 7-Chloro-4-hydroxy-3-(3-phenoxy)phenyl-2(1H)-quinolone; I9WY146163; 7-Chloro-4-hydroxy-3-(3-pheoxyphenyl)-2(1H)-quinolinone; 2(1H)-Quinolinone, 7-chloro-4-hydroxy-3-(3-pheoxyphenyl)-; SMR000326934; compund 13 [PMID: 8182696]; Tocris-0907; AC1L3GJN; Biomol-NT_000206; MLS002153302; MLS000860076; GTPL4240; SCHEMBL1998890; BPBio1_001264; CHEBI:92140; DTXSID00162016; EX-A587; MolPort-003-941-887; 2(1H)-Quinolinone, 7-chloro-4-hydroxy-3-(3-ph
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 363.8
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H14ClNO3
IUPAC Name
7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)O
InChI
InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
InChIKey
FLVRDMUHUXVRET-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54682505
ChEBI ID
CHEMBL92140
CAS Number
142326-59-8
TTD ID
D0M1WN
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [2]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [2]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4240).
2 Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. J Med Chem. 2006 Feb 9;49(3):864-71.