Drug Information

General Information
Drug ID
DR01255
Drug Name
Pregabalin
Synonyms
Pregabalin (controlled-release, oral); Pregabalin (controlled-release, oral), Pfizer; Pregabalin CR
Drug Type
Small molecular drug
Indication Epilepsy [ICD11:8A6Z] Approved [1]
Anxiety [ICD11:MB24.3] Approved [1]
Neuropathic pain [ICD11:8E43.0] Approved [1]
Structure
3D MOL 2D MOL
Formula
C8H17NO2
Canonical SMILES
CC(C)CC(CC(=O)O)CN
InChI
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKey
AYXYPKUFHZROOJ-ZETCQYMHSA-N
CAS Number
CAS 148553-50-8
Pharmaceutical Properties Molecular Weight 159.23 Topological Polar Surface Area 63.3
Heavy Atom Count 11 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
XLogP
-1.6
PubChem CID
5486971
PubChem SID
11694138 ,12011767 ,12014780 ,15171006 ,15219358 ,17396883 ,39472930 ,46504934 ,49831059 ,49976228 ,56365856 ,57364178 ,78321978 ,92719096 ,99431952 ,103290097 ,104050134 ,104253343 ,109692704 ,113994486 ,118046909 ,118310941 ,124772316 ,126621090 ,126659034 ,126670344 ,127479071 ,131299586 ,131403159 ,134338500 ,135081614 ,135668336 ,135684252 ,136995650 ,137006522 ,142340821 ,144205028 ,160963578 ,162111182 ,163180654 ,163621090 ,163686413 ,163801871 ,164198004 ,174006288 ,175267702 ,175612209 ,178102131 ,179149961 ,184557778
ChEBI ID
CHEBI:64356
TTD Drug ID
D00WUF
DT(s) Transporting This Drug LAT1 Transporter Info L-type amino acid transporter 1 Substrate [2]
Drug-Transporter Activity Data
Drug-Transporter Activity Data LAT1 Transporter Info Km =288 microM hCMEC/D3 cells-LAT1 [2]
References
1 Pregabalin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Transport of Pregabalin Via L-Type Amino Acid Transporter 1 (SLC7A5) in Human Brain Capillary Endothelial Cell Line. Pharm Res. 2018 Oct 29;35(12):246.

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