ID: ALA3733322
Chembl Id: CHEMBL3733322
PubChem CID: 59418541
Max Phase: Preclinical
Molecular Formula: C15H15ClFN3O3S
Molecular Weight: 371.82
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1F
Standard InChI: InChI=1S/C15H15ClFN3O3S/c1-2-8-24(22,23)20-12-6-5-11(16)13(14(12)17)15(21)19-10-4-3-7-18-9-10/h3-7,9,20H,2,8H2,1H3,(H,19,21)
Standard InChI Key: XNCUTAOOUAZFRX-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 371.82 | Molecular Weight (Monoisotopic): 371.0507 | AlogP: 3.28 | #Rotatable Bonds: 6 |
| Polar Surface Area: 88.16 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.73 | CX Basic pKa: 4.37 | CX LogP: 2.00 | CX LogD: 1.98 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.82 | Np Likeness Score: -2.33 |
| 1. (2014) 2-fluoro-benzenesulfonamide compounds as RAF kinase modulators, |
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