| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4588897
Max Phase: Preclinical
Molecular Formula: C17H22N6O
Molecular Weight: 326.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(O)CC(C)(C)Nc1nc(-c2cn[nH]c2)nc2cnccc12
Standard InChI: InChI=1S/C17H22N6O/c1-16(2,10-17(3,4)24)23-15-12-5-6-18-9-13(12)21-14(22-15)11-7-19-20-8-11/h5-9,24H,10H2,1-4H3,(H,19,20)(H,21,22,23)
Standard InChI Key: LCMHVCYOECYAMC-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: 326.40 | Molecular Weight (Monoisotopic): 326.1855 | AlogP: 2.77 | #Rotatable Bonds: 5 |
| Polar Surface Area: 99.61 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.13 | CX Basic pKa: 2.40 | CX LogP: 1.55 | CX LogD: 1.55 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.67 | Np Likeness Score: -1.11 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):