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ID: ALA4585067
Max Phase: Preclinical
Molecular Formula: C15H16N6
Molecular Weight: 280.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1n[nH]cc1-c1nc(NC2(C)CC2)c2ccncc2n1
Standard InChI: InChI=1S/C15H16N6/c1-9-11(7-17-21-9)13-18-12-8-16-6-3-10(12)14(19-13)20-15(2)4-5-15/h3,6-8H,4-5H2,1-2H3,(H,17,21)(H,18,19,20)
Standard InChI Key: HQFDCITUHVQXEV-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase LATS1 877 Activities
Serine/threonine-protein kinase LATS2 561 Activities
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Serine/threonine-protein kinase LATS 902 Activities
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Associated Targets(non-human)
Mus musculus 284745 Activities
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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: 280.34 | Molecular Weight (Monoisotopic): 280.1436 | AlogP: 2.69 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.06 | CX Basic pKa: 2.92 | CX LogP: 1.83 | CX LogD: 1.83 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.77 | Np Likeness Score: -0.98 |
References
| 1. (2018) 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors, |
Source
Source(1):