| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4590309
Max Phase: Preclinical
Molecular Formula: C18H20N4
Molecular Weight: 292.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(c1cc(-c2ccncc2)nc2cnccc12)C(C)(C)C
Standard InChI: InChI=1S/C18H20N4/c1-18(2,3)22(4)17-11-15(13-5-8-19-9-6-13)21-16-12-20-10-7-14(16)17/h5-12H,1-4H3
Standard InChI Key: GSFWSEGLHKYRGG-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase LATS1 877 Activities
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: 292.39 | Molecular Weight (Monoisotopic): 292.1688 | AlogP: 3.93 | #Rotatable Bonds: 2 |
| Polar Surface Area: 41.91 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.74 | CX LogP: 2.89 | CX LogD: 2.89 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.72 | Np Likeness Score: -0.75 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):