| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2143126
Max Phase: Preclinical
Molecular Formula: C21H30N2O2
Molecular Weight: 342.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC1NC(C(=O)O)Cc2c1[nH]c1ccccc21
Standard InChI: InChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-13-18-20-16(14-19(22-18)21(24)25)15-11-9-10-12-17(15)23-20/h9-12,18-19,22-23H,2-8,13-14H2,1H3,(H,24,25)
Standard InChI Key: CXNATEZOVVRARQ-UHFFFAOYSA-N
Associated Targets(non-human)
Methionyl-tRNA synthetase, putative 498 Activities
Molecule Features
| Natural Product: Yes | 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: 342.48 | Molecular Weight (Monoisotopic): 342.2307 | AlogP: 4.95 | #Rotatable Bonds: 9 |
| Polar Surface Area: 65.12 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.08 | CX Basic pKa: 9.31 | CX LogP: 2.86 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.57 | Np Likeness Score: 0.72 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
Source
Source(1):