| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4566762
Max Phase: Preclinical
Molecular Formula: C21H13BrO5
Molecular Weight: 425.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1
Standard InChI: InChI=1S/C21H13BrO5/c22-15-8-4-7-14(11-15)18-10-9-16(25-18)12-17-19(23)26-21(27-20(17)24)13-5-2-1-3-6-13/h1-12,21H/b17-12-
Standard InChI Key: PFYWRDMNWMLGTL-ATVHPVEESA-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: 425.23 | Molecular Weight (Monoisotopic): 423.9946 | AlogP: 4.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 65.74 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.76 | CX LogD: 5.76 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.34 | Np Likeness Score: -0.50 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):