ID: ALA4562829
Chembl Id: CHEMBL4562829
PubChem CID: 11044910
Max Phase: Preclinical
Molecular Formula: C16H14F2N2O2
Molecular Weight: 304.30
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1ccccc1
Standard InChI: InChI=1S/C16H14F2N2O2/c1-11(21)19-14-10-6-5-9-13(14)16(17,18)15(22)20-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,21)(H,20,22)
Standard InChI Key: LMBYRXOYAROBLX-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 304.30 | Molecular Weight (Monoisotopic): 304.1023 | AlogP: 3.38 | #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: 11.45 | CX Basic pKa: ┄ | CX LogP: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.91 | Np Likeness Score: -1.22 |
| 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] |
Source(1):
