General
Preferred name
GABAPENTIN
Synonyms
Gabapentin Hydrochloride ()
Neurontin HCl ()
Neurontin ()
Gabapentine ()
Aclonium ()
Gabapentin HCl ()
Gabapentin (hydrochloride) ()
DM-1796 ()
CI-945 ()
NSC-759254 ()
NSC-742194 ()
GOE-3450 ()
GOE 3450 ()
Gralise ()
?Gabapentin-d4 ()
Gabapentin (CRM) ()
P&D ID
PD000719
CAS
60142-95-2
1185039-20-6
60142-96-3
Tags
natural product
drug
available
Approved by
FDA
First approval
1993
Drug Status
investigational
approved
Drug indication
Complex partial seizure
Anticonvulsant
Solid tumour/cancer
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
ROE Gabapentin is eliminated from the systemic circulation by renal excretion as unchanged drug.; Gabapentin is not appreciably metabolized in humans.
DESCRIPTION Although gabapentin was desigened to mimic gamma-aminobutyric acid (GABA), it is believed that gabapentinoids act on different brain receptors, such as the α2δ subunit of voltage-gated calcium channels. (GtoPdb)
DESCRIPTION Anticonvulsant that may modulate certain types of Ca2+ channel currents; analgesic (LOPAC library)
DESCRIPTION Gabapentin HCl is a GABA analogue.Originally it was developed to treat epilepsy, and is currently used to relieve neuropathic pain and restless leg syndrome. (BOC Sciences Bioactive Compounds)
Compound Sets
32
AdooQ Bioactive Compound Library
A10413
A10414
Axon Medchem Screening Library
1301
BOC Sciences Bioactive Compounds
gabapentin-hydrochloride-cas-60142-95-2-item-84-144798
Cayman Chemical Bioactives
10008346
22910
37860
18254
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL940
ChEMBL Drugs
CHEMBL940
Concise Guide to Pharmacology 2019/20
5483
Concise Guide to Pharmacology 2021/22
5483
Concise Guide to Pharmacology 2023/24
5483
Drug Repurposing Hub
DrugBank
DB00996
DrugBank Approved Drugs
DB00996
DrugCentral
1264
DrugCentral Approved Drugs
1264
DrugMAP
DM6T924
DrugMAP Approved Drugs
DM6T924
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100378
Guide to Pharmacology
5483
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL940
MedChem Express Bioactive Compound Library
HY-A0057
HY-A0057A
NCATS Inxight Approved Drugs
6CW7F3G59X
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Gabapentin(Neurontin)
Gabapentin
TargetMol Bioactive Compound Library
T0702
T6507
The Spectrum Collection
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
171.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
1.37
TPSA
63.32
Fraction CSP3
0.89
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Voltage-gated calcium channel
GABAR
??2?? subunit of calcium channel
Calcium Channel
ADORA1, CACNA1A, CACNA1B, CACNA1C, CACNA1D, CACNA1E, CACNA1F, CACNA1G, CACNA1H, CACNA1I, CACNA1S, CACNA2D1, CACNA2D2, CACNA2D3, CACNA2D4, CACNB1, CACNB2, CACNB3, CACNB4, CACNG1, CACNG2, CACNG3, CACNG4, CACNG5, CACNG6, CACNG7, CACNG8, GRIN1, GRIN2A, GRIN2B, GRIN2C, GRIN2D, GRIN3A, GRIN3B
GABA modulator
MOA
voltage-gated calcium channel blocker
AChR inhibitor
GABA Receptor
Calcium Channels (Voltage-Gated) alpha2/delta-1 Subunit Ligands
Calcium Channels (Voltage-Gated) alpha2/delta-2 Subunit Ligands
calcium channel blocker
Pathway
Membrane Transporter/Ion Channel
Neuroscience
Neuronal Signaling
Member status
member
Indication
virus herpes simplex (HSV), shingles, seizures, restless leg syndrome
Disease Area
infectious disease, neurology/psychiatry
Therapeutic Class
Analgesics
Source data