Details of the Drug

General Information of Drug (ID: DMBMAPH)

Drug Name
GPI-3000
Synonyms NPC-17742
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) 279.27
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C11H22NO5P
IUPAC Name
2-amino-3-[2-(2-phosphonoethyl)cyclohexyl]propanoic acid
Canonical SMILES
C1CCC(C(C1)CCP(=O)(O)O)CC(C(=O)O)N
InChI
InChI=1S/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)
InChIKey
DHJQWBSZKBDBFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
108099
ChEBI ID
CHEMBL322304
CAS Number
117571-54-7
TTD ID
D00MFY
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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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001817)
2 Treatment with the competitive NMDA antagonist GPI 3000 does not improve outcome after cardiac arrest in dogs. Stroke. 1998 Apr;29(4):824-9.