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:	CHEMBL2001641
	Name:	2-[1-(1H-indazol-5-yl)triazol-4-yl]propan-2-ol
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C12H13N5O/c1-12(2,18)11-7-17(16-15-11)9-3-4-10-8(5-9)6-13-14-10/h3-7,18H,1-2H3,(H,13,14)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.9	experimental value
5.272591	pls: PLS model of diverse drug-like compounds (Training set)
6.171197	bmlr: MLR model of diverse drug-like compounds (Training set)