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:	CHEMBL451401
	Name:	1H-indazole-7-carboxamide
	Description:
	Labels:	Training
	CAS:
	InChi Code:	InChI=1S/C8H7N3O/c9-8(12)6-3-1-2-5-4-10-11-7(5)6/h1-4H,(H2,9,12)(H,10,11)

Properties

pKi: LRRK2 inhibition as log(1/Ki)

Value	Source or prediction
4.8	experimental value
4.964554	pls: PLS model of diverse drug-like compounds (Training set)
4.795112	bmlr: MLR model of diverse drug-like compounds (Training set)

Links to External Resources

Link	Resource description
DTXSID30659580	US EPA CompTox Dashboard