| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4436066
Max Phase: Preclinical
Molecular Formula: C17H13NO2S2
Molecular Weight: 327.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Cc1ccccc1
Standard InChI: InChI=1S/C17H13NO2S2/c19-16-15(10-4-8-14-9-5-11-20-14)22-17(21)18(16)12-13-6-2-1-3-7-13/h1-11H,12H2/b8-4+,15-10+
Standard InChI Key: YHSBXXPINTVKRS-JBZDNPHWSA-N
Associated Targets(Human)
Ectonucleoside triphosphate diphosphohydrolase 5 478 Activities
Associated Targets(non-human)
Uridylate kinase 158 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 327.43 | Molecular Weight (Monoisotopic): 327.0388 | AlogP: 4.24 | #Rotatable Bonds: 4 |
| Polar Surface Area: 33.45 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.28 | CX LogD: 4.28 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.62 | Np Likeness Score: -1.65 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):