| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA152975
Max Phase: Preclinical
Molecular Formula: C14H17N5O3
Molecular Weight: 303.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)Nc1nc2cc(C(=O)N3CCNCC3)ccc2[nH]1
Standard InChI: InChI=1S/C14H17N5O3/c1-22-14(21)18-13-16-10-3-2-9(8-11(10)17-13)12(20)19-6-4-15-5-7-19/h2-3,8,15H,4-7H2,1H3,(H2,16,17,18,21)
Standard InChI Key: HOWJUTDWQYZHEJ-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: 303.32 | Molecular Weight (Monoisotopic): 303.1331 | AlogP: 0.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.35 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.23 | CX Basic pKa: 7.80 | CX LogP: 0.36 | CX LogD: 0.00 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.76 | Np Likeness Score: -1.43 |
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):