Details of the Drug

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]
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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
UNII: 0709BVY57W
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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.