The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
US9227969, 86 ID: ALA3951376
Chembl Id: CHEMBL3951376
PubChem CID: 117876865
Max Phase: Preclinical
Molecular Formula: C30H25ClF2N6O3
Molecular Weight: 591.02
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)C2CCO2)C[C@@H]1F
Standard InChI: InChI=1S/C30H25ClF2N6O3/c1-16-37-25-14-36-24-13-22(32)19(18-4-3-17(11-21(18)31)42-30-34-7-2-8-35-30)12-20(24)28(25)39(16)26-5-9-38(15-23(26)33)29(40)27-6-10-41-27/h2-4,7-8,11-14,23,26-27H,5-6,9-10,15H2,1H3/t23-,26-,27?/m0/s1
Standard InChI Key: BNEIJRJUSPJYIW-UDMWCJJBSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 591.02Molecular Weight (Monoisotopic): 590.1645AlogP: 5.84#Rotatable Bonds: 5Polar Surface Area: 95.26Molecular Species: NEUTRALHBA: 8HBD: 0#RO5 Violations: 2HBA (Lipinski): 9HBD (Lipinski): 0#RO5 Violations (Lipinski): 2CX Acidic pKa: CX Basic pKa: 3.48CX LogP: 3.79CX LogD: 3.79Aromatic Rings: 5Heavy Atoms: 42QED Weighted: 0.25Np Likeness Score: -1.26
References 1. (2016) Compounds and compositions as inhibitors of MEK,