| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4551947
Max Phase: Preclinical
Molecular Formula: C14H21N3O3
Molecular Weight: 279.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=CCN(CC(=O)Nc1cc(C)on1)C(=O)CCCC
Standard InChI: InChI=1S/C14H21N3O3/c1-4-6-7-14(19)17(8-5-2)10-13(18)15-12-9-11(3)20-16-12/h5,9H,2,4,6-8,10H2,1,3H3,(H,15,16,18)
Standard InChI Key: IXUCGDOTKZCEQE-UHFFFAOYSA-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: 279.34 | Molecular Weight (Monoisotopic): 279.1583 | AlogP: 2.13 | #Rotatable Bonds: 8 |
| Polar Surface Area: 75.44 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.85 | CX Basic pKa: | CX LogP: 1.81 | CX LogD: 1.79 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.74 | Np Likeness Score: -2.30 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):