| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971934
Max Phase: Preclinical
Molecular Formula: C26H20ClF2N5O2
Molecular Weight: 507.93
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCOCC1F
Standard InChI: InChI=1S/C26H20ClF2N5O2/c1-14-33-23-12-32-22-11-20(28)17(10-18(22)25(23)34(14)24-5-8-35-13-21(24)29)16-4-3-15(9-19(16)27)36-26-30-6-2-7-31-26/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3
Standard InChI Key: RQGOSNUBDGLIMT-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) 160 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 507.93 | Molecular Weight (Monoisotopic): 507.1274 | AlogP: 6.23 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.95 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 3.09 | CX LogP: 4.58 | CX LogD: 4.58 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.29 | Np Likeness Score: -1.12 |
References
| 1. (2016) Compounds and compositions as inhibitors of MEK, |
Source
Source(1):