OMO-1   Click here for help

GtoPdb Ligand ID: 10507

Synonyms: example 60 [WO2007075567A1] | JNJ-38877618 | JNJ38877618 | OMO1
Compound class: Synthetic organic
Comment: OMO-1 (formerly JNJ-38877618) is a potent, highly selective and orally bioavailable MET kinase inhibitor. It is being investigated as an anti-tumour agent in advanced solid malignancies. The chemical structure of OMO-1 is one of those claimed in Janssen patent WO2007075567A1 [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.86
Molecular weight 374.11
XLogP 5.34
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F
Isomeric SMILES FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F
InChI InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H
1. Lu T, Alexander R, Connors RW, Cummings MD, Galemmo RA, Hufnagel HR, Johnson DL, Khalil E, Leonard KA, Markotan TP et al.. (2007)
Triazolopyridazines as tyrosine kinase modulators.
Patent number: WO2007075567A1. Assignee: Janssen Pharmaceutica, N.V.. Priority date: 21/12/2005. Publication date: 05/07/2007.