| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3895022
Max Phase: Preclinical
Molecular Formula: C22H25ClN6O2S
Molecular Weight: 473.00
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)c1nccs1)C1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1
Standard InChI: InChI=1S/C22H25ClN6O2S/c1-27(21(30)20-24-6-12-32-20)16-3-2-7-29(14-16)19-17-5-4-15(28-8-10-31-11-9-28)13-18(17)25-22(23)26-19/h4-6,12-13,16H,2-3,7-11,14H2,1H3
Standard InChI Key: JCKRICMQTRLACH-UHFFFAOYSA-N
Associated Targets(Human)
DNA-dependent protein kinase 1929 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 473.00 | Molecular Weight (Monoisotopic): 472.1448 | AlogP: 3.32 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.69 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.97 | CX LogP: 3.53 | CX LogD: 3.53 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: -1.74 |
References
| 1. (2015) Morpholinylquinazolines, |
Source
Source(1):