| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4474334
Max Phase: Preclinical
Molecular Formula: C16H10N2O5S2
Molecular Weight: 374.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1
Standard InChI: InChI=1S/C16H10N2O5S2/c19-12-6-1-9(7-13(12)20)8-14-15(21)17(16(24)25-14)10-2-4-11(5-3-10)18(22)23/h1-8,19-20H/b14-8-
Standard InChI Key: ZNWYGQPSLZVNHI-ZSOIEALJSA-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 |
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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: 374.40 | Molecular Weight (Monoisotopic): 374.0031 | AlogP: 3.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 103.91 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.15 | CX Basic pKa: | CX LogP: 3.95 | CX LogD: 3.95 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.28 | Np Likeness Score: -1.40 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):