| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4448294
Max Phase: Preclinical
Molecular Formula: C25H20N2O3
Molecular Weight: 396.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1C=Cc2ccccc2/C1=C/NNC(=O)C(O)(c1ccccc1)c1ccccc1
Standard InChI: InChI=1S/C25H20N2O3/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-27-24(29)25(30,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-17,26,30H,(H,27,29)/b22-17-
Standard InChI Key: XAIQMHYNSRRQAB-XLNRJJMWSA-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: 396.45 | Molecular Weight (Monoisotopic): 396.1474 | AlogP: 3.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.43 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.36 | CX Basic pKa: | CX LogP: 3.99 | CX LogD: 3.99 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.46 | Np Likeness Score: -0.27 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):