| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4743353
Max Phase: Preclinical
Molecular Formula: C19H16N2O3S
Molecular Weight: 352.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1N1C(=O)CSC1c1ccc2cccc(O)c2n1
Standard InChI: InChI=1S/C19H16N2O3S/c1-24-16-8-3-2-6-14(16)21-17(23)11-25-19(21)13-10-9-12-5-4-7-15(22)18(12)20-13/h2-10,19,22H,11H2,1H3
Standard InChI Key: PNQHKTCQJQECIK-UHFFFAOYSA-N
Associated Targets(Human)
Methionine aminopeptidase 1 614 Activities
Molecule Features
| 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 |
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: 352.42 | Molecular Weight (Monoisotopic): 352.0882 | AlogP: 3.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.66 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.30 | CX Basic pKa: 3.46 | CX LogP: 3.11 | CX LogD: 3.10 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -0.60 |
References
| 1. Bhat SY,Jagruthi P,Srinivas A,Arifuddin M,Qureshi IA. (2020) Synthesis and characterization of quinoline-carbaldehyde derivatives as novel inhibitors for leishmanial methionine aminopeptidase 1., 186 [PMID:31759728] [10.1016/j.ejmech.2019.111860] |
Source
Source(1):