| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4453325
Max Phase: Preclinical
Molecular Formula: C17H29N5O2
Molecular Weight: 335.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCc1nc(N)nc(N2CCCOC(CN3CCOCC3)C2)c1C
Standard InChI: InChI=1S/C17H29N5O2/c1-3-15-13(2)16(20-17(18)19-15)22-5-4-8-24-14(12-22)11-21-6-9-23-10-7-21/h14H,3-12H2,1-2H3,(H2,18,19,20)
Standard InChI Key: KDIWIKBGIYGADG-UHFFFAOYSA-N
Associated Targets(Human)
Cytosolic purine 5'-nucleotidase 72 Activities
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: 335.45 | Molecular Weight (Monoisotopic): 335.2321 | AlogP: 0.86 | #Rotatable Bonds: 4 |
| Polar Surface Area: 76.74 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.63 | CX LogP: 1.65 | CX LogD: 1.01 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.87 | Np Likeness Score: -1.35 |
References
| 1. (2018) Nt5c2 inhibitors useful for the treatment of chemotherapy resistant acute lymphoblastic leukemia, |
Source
Source(1):