Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 188 | |
|---|---|---|
| Name: | Lamotrigine | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.48 |
experimental value |
| 0.624 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.5792 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2023195 | US EPA CompTox Dashboard |