Details of the Drug

General Information of Drug (ID: DMRLVUD)

Drug Name
Imagabalin
Synonyms Imagabalin hydrochloride; PD-0332334; PD-332334; PF-00195889
Indication
Disease Entry ICD 11 Status REF
Generalized anxiety disorder 6B00 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 173.25
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H19NO2
IUPAC Name
(3S,5R)-3-amino-5-methyloctanoic acid
Canonical SMILES
CCC[C@@H](C)C[C@@H](CC(=O)O)N
InChI
InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
JXEHXYFSIOYTAH-SFYZADRCSA-N
Cross-matching ID
PubChem CID
10236037
CAS Number
610300-07-7
DrugBank ID
DB12105
TTD ID
D05DBY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) TTFK1JQ CA2D1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Generalized anxiety disorder
ICD Disease Classification 6B00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) DTT CACNA2D1 9.36E-01 -0.03 -0.13
Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) DTT CACNA2D1 2.81E-05 -0.15 -0.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Methodology for rapid measures of glutamate release in rat brain slices using ceramic-based microelectrode arrays: basic characterization and drug pharmacology. Brain Res. 2011 Jul 15;1401:1-9.