| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4582642
Max Phase: Preclinical
Molecular Formula: C16H18N6O
Molecular Weight: 310.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1n[nH]cc1-c1nc(NC2(CO)CCC2)c2ccncc2n1
Standard InChI: InChI=1S/C16H18N6O/c1-10-12(7-18-22-10)14-19-13-8-17-6-3-11(13)15(20-14)21-16(9-23)4-2-5-16/h3,6-8,23H,2,4-5,9H2,1H3,(H,18,22)(H,19,20,21)
Standard InChI Key: RZIMAHVXUWVICF-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: 310.36 | Molecular Weight (Monoisotopic): 310.1542 | AlogP: 2.05 | #Rotatable Bonds: 4 |
| 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: 12.06 | CX Basic pKa: 2.92 | CX LogP: 1.21 | CX LogD: 1.21 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.68 | Np Likeness Score: -0.82 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):