ID: ALA4574177
Chembl Id: CHEMBL4574177
PubChem CID: 155564212
Max Phase: Preclinical
Molecular Formula: C17H14F5N3O2
Molecular Weight: 387.31
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccc(C(F)(F)F)cc1
Standard InChI: InChI=1S/C17H14F5N3O2/c1-10(26)23-14-5-3-2-4-13(14)16(18,19)15(27)25-24-12-8-6-11(7-9-12)17(20,21)22/h2-9,24H,1H3,(H,23,26)(H,25,27)
Standard InChI Key: WZDLDILHDXWEKK-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: 387.31 | Molecular Weight (Monoisotopic): 387.1006 | AlogP: 3.90 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 7.59 | CX Basic pKa: ┄ | CX LogP: 3.79 | CX LogD: 3.60 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.54 | Np Likeness Score: -1.40 |
| 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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