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:	CHEMBL1993904
	Name:	7-amino-4-[4-(1,3-benzoxazol-2-ylamino)phenyl]thieno[2,3-c]pyridine-2-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C21H15N5O2S/c22-19-18-13(9-17(29-18)20(23)27)14(10-24-19)11-5-7-12(8-6-11)25-21-26-15-3-1-2-4-16(15)28-21/h1-10H,(H2,22,24)(H2,23,27)(H,25,26)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
6.8	experimental value
7.202286	pls: PLS model of diverse drug-like compounds (Training set)
6.884741	bmlr: MLR model of diverse drug-like compounds (Training set)