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:	CHEMBL1995916
	Name:	N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.3	experimental value
5.009039	pls: PLS model of diverse drug-like compounds (Training set)
5.429626	bmlr: MLR model of diverse drug-like compounds (Training set)