ID: ALA1487179
Chembl Id: CHEMBL1487179
PubChem CID: 24178132
Max Phase: Preclinical
Molecular Formula: C15H14Cl2FN3O
Molecular Weight: 342.20
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]n1)N1CCCCC1
Standard InChI: InChI=1S/C15H14Cl2FN3O/c16-10-7-11(17)12(18)6-9(10)13-8-14(20-19-13)15(22)21-4-2-1-3-5-21/h6-8H,1-5H2,(H,19,20)
Standard InChI Key: UYFKEZDNNGLWRM-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: 342.20 | Molecular Weight (Monoisotopic): 341.0498 | AlogP: 4.15 | #Rotatable Bonds: 2 |
| Polar Surface Area: 48.99 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.56 | CX Basic pKa: 0.39 | CX LogP: 3.73 | CX LogD: 3.73 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -2.12 |
| 1. PubChem BioAssay data set, |
Source(1):
