| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580434
Max Phase: Preclinical
Molecular Formula: C16H17N5O2
Molecular Weight: 311.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(CO)(CO)Nc1nc(-c2ccncc2)nc2cnccc12
Standard InChI: InChI=1S/C16H17N5O2/c1-16(9-22,10-23)21-15-12-4-7-18-8-13(12)19-14(20-15)11-2-5-17-6-3-11/h2-8,22-23H,9-10H2,1H3,(H,19,20,21)
Standard InChI Key: GASZFPAPBAGRFK-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase LATS1 877 Activities
Serine/threonine-protein kinase LATS2 561 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase LATS 902 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: 311.35 | Molecular Weight (Monoisotopic): 311.1382 | AlogP: 1.24 | #Rotatable Bonds: 5 |
| Polar Surface Area: 104.05 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.31 | CX LogP: 0.33 | CX LogD: 0.33 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.65 | Np Likeness Score: -0.82 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):