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:	CHEMBL1995811
	Name:	N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]-2,5-difluorobenzamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C23H16F2N6O/c24-16-7-8-19(25)17(11-16)23(32)26-22-18-10-15(6-9-20(18)27-29-22)21-13-31(30-28-21)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,26,27,29,32)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
5.9	experimental value
6.155187	pls: PLS model of diverse drug-like compounds (Training set)
5.945856	bmlr: MLR model of diverse drug-like compounds (Training set)