| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4865466
Max Phase: Preclinical
Molecular Formula: C20H22ClN7O2S2
Molecular Weight: 492.03
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)csc4Cl)s3)nc(C)n2)CC1
Standard InChI: InChI=1S/C20H22ClN7O2S2/c1-11-10-31-18(21)17(11)26-19(30)14-9-22-20(32-14)25-15-8-16(24-12(2)23-15)28-6-4-27(5-7-28)13(3)29/h8-10H,4-7H2,1-3H3,(H,26,30)(H,22,23,24,25)
Standard InChI Key: RIJYZTZQMRSSEU-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase SIK1 1440 Activities
Serine/threonine-protein kinase SIK2 1467 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Serine/threonine-protein kinase SIK3 566 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: 492.03 | Molecular Weight (Monoisotopic): 491.0965 | AlogP: 3.93 | #Rotatable Bonds: 5 |
| Polar Surface Area: 103.35 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.50 | CX Basic pKa: 6.47 | CX LogP: 3.76 | CX LogD: 3.68 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.56 | Np Likeness Score: -2.20 |
References
| 1. (2020) Heterocyclic kinase inhibitors and uses thereof, |
Source
Source(1):