General Information of Drug (ID: DM64ZYM)

Drug Name
GPI-1485
Synonyms
186268-78-0; GPI-1485; UNII-0709BVY57W; (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid; (2S)-1-(1,2-DIOXO-3,3-DIMETHYLPENTYL)-2-PYRROLIDINECARBOXYLIC ACID; 0709BVY57W; (S)-1-(3,3-Dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid; L-Proline, 1-(3,3-dimethyl-1,2-dioxopentyl)-; GPI 1485; SCHEMBL2006950; CTK6C7007; FOPALECPEUVCTL-QMMMGPOBSA-N; MolPort-023-219-569; ZX-RL003437; 1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidine carboxylic acid, 2S; ZINC33979157; 6256AD; AKOS015991368; DB05814; EG-0058
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 241.28
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H19NO4
IUPAC Name
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
Canonical SMILES
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKey
FOPALECPEUVCTL-QMMMGPOBSA-N
Cross-matching ID
PubChem CID
9837656
CAS Number
186268-78-0
DrugBank ID
DB05814
TTD ID
D0N0AR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FK506-binding protein 1A (FKBP1A) TTMW94E FKB1A_HUMAN Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
FK506-binding protein 1A (FKBP1A) DTT FKBP1A 9.70E-01 -0.04 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
2 Drugs used to treat Parkinson's disease, present status and future directions. CNS Neurol Disord Drug Targets. 2008 Oct;7(4):321-42.