PD 0325901   

GtoPdb Ligand ID: 7935

Synonyms: mirdametinib (proposed INN) [3] | PD-0325901 | PD0325901
Compound class: Synthetic organic
Comment: PD 0325901 is a selective and non ATP-competitive MEK inhibitor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 90.82
Molecular weight 482
XLogP 3.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O
Isomeric SMILES OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O
InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
InChI Key SUDAHWBOROXANE-SECBINFHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
Synonyms
mirdametinib (proposed INN) [3] | PD-0325901 | PD0325901
Database Links
CAS Registry No. 391210-10-9
ChEMBL Ligand CHEMBL507361
GtoPdb PubChem SID 249565618
PubChem CID 9826528
RCSB PDB Ligand 4BM
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Search UniChem for chemicals with the same backbone SUDAHWBOROXANE
SynPHARM 80833 (in complex with mitogen-activated protein kinase kinase 1)

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PD 0325901
Cat. No. 4192