Details of the Drug

General Information of Drug (ID: DMOULQ4)

Drug Name
CGP-37849
Synonyms CGP-39551; CGP-40116; CGP-43487; Ethyl ester of CGP-37849; 4-methyl-APPA
Indication
Disease Entry ICD 11 Status REF
Neurological disorder 6B60 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 209.14
Logarithm of the Partition Coefficient (xlogp) -4.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H12NO5P
IUPAC Name
(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid
Canonical SMILES
C/C(=C\\C(C(=O)O)N)/CP(=O)(O)O
InChI
InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+
InChIKey
BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Cross-matching ID
PubChem CID
5950212
ChEBI ID
CHEMBL29811
CAS Number
127910-31-0
TTD ID
D06DLQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Modulator [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: 4154).
2 The competitive NMDA receptor antagonists CGP 37849 and CGP 39551 are potent, orally-active anticonvulsants in rodents. Naunyn Schmiedebergs Arch Pharmacol. 1990 Jul;342(1):61-6.