ID: ALA4546693
Chembl Id: CHEMBL4546693
PubChem CID: 15461840
Max Phase: Preclinical
Molecular Formula: C16H13ClF2N2O2
Molecular Weight: 338.74
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccc(Cl)cc1
Standard InChI: InChI=1S/C16H13ClF2N2O2/c1-10(22)20-14-5-3-2-4-13(14)16(18,19)15(23)21-12-8-6-11(17)7-9-12/h2-9H,1H3,(H,20,22)(H,21,23)
Standard InChI Key: NYPBCWMVFWTLJS-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 338.74 | Molecular Weight (Monoisotopic): 338.0634 | AlogP: 4.03 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.20 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.42 | CX Basic pKa: ┄ | CX LogP: 3.66 | CX LogD: 3.66 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -1.45 |
| 1. Crizanto de Lima E, Castelo-Branco FS, Maquiaveli CC, Farias AB, Rennó MN, Boechat N, Silva ER.. (2019) Phenylhydrazides as inhibitors of Leishmania amazonensis arginase and antileishmanial activity., 27 (17): [PMID:31311700] [10.1016/j.bmc.2019.07.022] |
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