| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4847716
Max Phase: Preclinical
Molecular Formula: C20H24ClN7O2S2
Molecular Weight: 494.05
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)csc3C)s2)cc(N2CCN(CCO)CC2)n1
Standard InChI: InChI=1S/C20H24ClN7O2S2/c1-12-18(14(21)11-31-12)26-19(30)15-10-22-20(32-15)25-16-9-17(24-13(2)23-16)28-5-3-27(4-6-28)7-8-29/h9-11,29H,3-8H2,1-2H3,(H,26,30)(H,22,23,24,25)
Standard InChI Key: PKJTVQJCYWTEFT-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: 494.05 | Molecular Weight (Monoisotopic): 493.1121 | AlogP: 3.38 | #Rotatable Bonds: 7 |
| Polar Surface Area: 106.51 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.51 | CX Basic pKa: 7.19 | CX LogP: 3.74 | CX LogD: 3.65 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.46 | Np Likeness Score: -2.25 |
References
| 1. (2020) Heterocyclic kinase inhibitors and uses thereof, |
Source
Source(1):