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:	CHEMBL191003
	Name:	4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
7.1	experimental value
6.89991	pls: PLS model of diverse drug-like compounds (Training set)
6.955067	bmlr: MLR model of diverse drug-like compounds (Training set)