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:	CHEMBL2002586
	Name:	2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-cyclopropylthieno[3,2-d]pyrimidine-2,4-diamine
	Description:
	Labels:	Testing
	CAS:
	InChi Code:	InChI=1S/C19H20ClN5OS/c20-14-11-13(3-4-16(14)25-6-8-26-9-7-25)22-19-23-15-5-10-27-17(15)18(24-19)21-12-1-2-12/h3-5,10-12H,1-2,6-9H2,(H2,21,22,23,24)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.5	experimental value
7.860727	pls: PLS model of diverse drug-like compounds (Validation set)
6.721182	bmlr: MLR model of diverse drug-like compounds (Validation set)