| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4447041
Max Phase: Preclinical
Molecular Formula: C20H17NO4
Molecular Weight: 335.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1
Standard InChI: InChI=1S/C20H17NO4/c1-12-4-7-17(14(3)8-12)19-11-16(20(22)25-19)9-15-6-5-13(2)18(10-15)21(23)24/h4-11H,1-3H3/b16-9-
Standard InChI Key: CIWOSHOAHHIHRM-SXGWCWSVSA-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: 335.36 | Molecular Weight (Monoisotopic): 335.1158 | AlogP: 4.50 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.44 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.37 | CX LogD: 5.37 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.36 | Np Likeness Score: -0.64 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):