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:	CHEMBL1975212
	Name:	5-phenylthieno[2,3-d]pyrimidin-4-amine
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C12H9N3S/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11/h1-7H,(H2,13,14,15)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.2	experimental value
5.452101	pls: PLS model of diverse drug-like compounds (Training set)
5.481821	bmlr: MLR model of diverse drug-like compounds (Training set)