| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA346208
Max Phase: Preclinical
Molecular Formula: C16H13FN4O3
Molecular Weight: 328.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)Nc1nc2cc(NC(=O)c3ccc(F)cc3)ccc2[nH]1
Standard InChI: InChI=1S/C16H13FN4O3/c1-24-16(23)21-15-19-12-7-6-11(8-13(12)20-15)18-14(22)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,22)(H2,19,20,21,23)
Standard InChI Key: FTFRARZHXYKTHW-UHFFFAOYSA-N
Associated Targets(non-human)
Acanthocheilonema viteae 418 Activities
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 328.30 | Molecular Weight (Monoisotopic): 328.0972 | AlogP: 3.13 | #Rotatable Bonds: 3 |
| Polar Surface Area: 96.11 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.72 | CX Basic pKa: 4.26 | CX LogP: 3.04 | CX LogD: 3.03 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: -1.67 |
References
| 1. Ram S, Wise DS, Wotring LL, McCall JW, Townsend LB.. (1992) Synthesis and biological activity of certain alkyl 5-(alkoxycarbonyl)-1H-benzimidazole-2-carbamates and related derivatives: a new class of potential antineoplastic and antifilarial agents., 35 (3): [PMID:1738146] [10.1021/jm00081a016] |
Source
Source(1):