| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4755128
Max Phase: Preclinical
Molecular Formula: C19H13N3O2S
Molecular Weight: 347.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(N2C(=O)CSC2c2ccc3cccc(O)c3n2)c1
Standard InChI: InChI=1S/C19H13N3O2S/c20-10-12-3-1-5-14(9-12)22-17(24)11-25-19(22)15-8-7-13-4-2-6-16(23)18(13)21-15/h1-9,19,23H,11H2
Standard InChI Key: UIYFTYMJFKVWKV-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: 347.40 | Molecular Weight (Monoisotopic): 347.0728 | AlogP: 3.59 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.22 | 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: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.77 | Np Likeness Score: -1.11 |
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):