OMO-1   

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].
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key KOAWAWHSMVKCON-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
Synonyms
example 60 [WO2007075567A1] | JNJ-38877618 | JNJ38877618 | OMO1
Database Links
CAS Registry No. 943540-74-7 (source: PubChem)
GtoPdb PubChem SID 387065589
PubChem CID 57654476
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