| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536077
Max Phase: Preclinical
Molecular Formula: C19H26N6O2
Molecular Weight: 370.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)nc(N2CCCC2)n1
Standard InChI: InChI=1S/C19H26N6O2/c1-13-10-17(21-19(20-13)25-6-2-3-7-25)24-8-4-14(5-9-24)16-11-15(22-23-16)12-18(26)27/h10-11,14H,2-9,12H2,1H3,(H,22,23)(H,26,27)
Standard InChI Key: JCUDHQACIMVEBA-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: 370.46 | Molecular Weight (Monoisotopic): 370.2117 | AlogP: 2.12 | #Rotatable Bonds: 5 |
| Polar Surface Area: 98.24 | Molecular Species: ZWITTERION | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.24 | CX Basic pKa: 8.65 | CX LogP: 0.35 | CX LogD: 0.33 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.83 | Np Likeness Score: -1.63 |
References
| 1. (2018) Nt5c2 inhibitors useful for the treatment of chemotherapy resistant acute lymphoblastic leukemia, |
Source
Source(1):