Kahn, I.; Lomaka, A.; Karelson, M. Topological Fingerprints as an Aid in Finding Structural Patterns for LRRK2 Inhibition. Mol. Inf. 2014, 33, 269-275.
Compound
| ID: | CHEMBL289959 | |
|---|---|---|
| Name: | N-phenylquinazolin-4-amine | |
| Description: | ||
| Labels: | Training | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H11N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h1-10H,(H,15,16,17) |
Properties
pKi: LRRK2 inhibition as log(1/Ki)
| Value | Source or prediction |
|---|---|
| 4.7 |
experimental value |
| 5.284487 |
pls: PLS model of diverse drug-like compounds (Training set) |
| 5.329034 |
bmlr: MLR model of diverse drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20314737 | US EPA CompTox Dashboard |