| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4532021
Max Phase: Preclinical
Molecular Formula: C16H17N5O
Molecular Weight: 295.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(CO)Nc1nc(-c2ccncc2)nc2cnccc12
Standard InChI: InChI=1S/C16H17N5O/c1-16(2,10-22)21-15-12-5-8-18-9-13(12)19-14(20-15)11-3-6-17-7-4-11/h3-9,22H,10H2,1-2H3,(H,19,20,21)
Standard InChI Key: DCIPFXLSLUFVQA-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 |
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Serine/threonine-protein kinase LATS 902 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 295.35 | Molecular Weight (Monoisotopic): 295.1433 | AlogP: 2.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.82 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.31 | CX LogP: 1.37 | CX LogD: 1.37 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.77 | Np Likeness Score: -1.05 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):