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: | 128 | |
|---|---|---|
| Name: | Atenolol | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.70 |
experimental value |
| -0.690 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.6450 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022628 | US EPA CompTox Dashboard |