CI-1040   

GtoPdb Ligand ID: 5676

Synonyms: CI 1040 | CI1040 | PD-184352 | PD184352
Compound class: Synthetic organic
Comment: CI-1040 is an investigational MEK1/2 inhibitor [1], which acts as a negative allosteric modulator of kinase activity.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 50.36
Molecular weight 477.98
XLogP 5.97
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1
Isomeric SMILES Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1
InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
InChI Key GFMMXOIFOQCCGU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[(2-chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Synonyms
CI 1040 | CI1040 | PD-184352 | PD184352
Database Links
CAS Registry No. 212631-79-3
ChEMBL Ligand CHEMBL105442
GtoPdb PubChem SID 178102303
PubChem CID 6918454
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Tocris
PD 184352
Cat. No. 4237