| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA304318
Max Phase: Preclinical
Molecular Formula: C19H23N6O5P
Molecular Weight: 446.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C(C)NP(=O)(OC/C=C/Cn1cnc2c(N)ncnc21)Oc1ccccc1
Standard InChI: InChI=1S/C19H23N6O5P/c1-14(19(26)28-2)24-31(27,30-15-8-4-3-5-9-15)29-11-7-6-10-25-13-23-16-17(20)21-12-22-18(16)25/h3-9,12-14H,10-11H2,1-2H3,(H,24,27)(H2,20,21,22)/b7-6+
Standard InChI Key: XZMWWDJOKLNHNR-VOTSOKGWSA-N
Associated Targets(Human)
ATH-8 cell line 300 Activities
Associated Targets(non-human)
Sus scrofa 849 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: Small molecule | 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: 446.40 | Molecular Weight (Monoisotopic): 446.1468 | AlogP: 2.32 | #Rotatable Bonds: 10 |
| Polar Surface Area: 143.48 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.24 | CX Basic pKa: 4.14 | CX LogP: 1.28 | CX LogD: 1.28 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.27 | Np Likeness Score: -0.29 |
References
| 1. Winter H, Maeda Y, Uchida H, Mitsuya H, Zemlicka J.. (1997) Phosphodiester amidates of unsaturated nucleoside analogues: synthesis and anti-HIV activity., 40 (14): [PMID:9216838] [10.1021/jm970069q] |
Source
Source(1):