| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4586256
Max Phase: Preclinical
Molecular Formula: C17H19N5O2S
Molecular Weight: 357.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(CS(C)(=O)=O)Nc1nc(-c2ccncc2)nc2cnccc12
Standard InChI: InChI=1S/C17H19N5O2S/c1-17(2,11-25(3,23)24)22-16-13-6-9-19-10-14(13)20-15(21-16)12-4-7-18-8-5-12/h4-10H,11H2,1-3H3,(H,20,21,22)
Standard InChI Key: POQZSRVIOIFGKW-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: 357.44 | Molecular Weight (Monoisotopic): 357.1259 | AlogP: 2.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 97.73 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.32 | CX LogP: 0.84 | CX LogD: 0.84 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -1.14 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):