| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971930
Max Phase: Preclinical
Molecular Formula: C18H21N5O
Molecular Weight: 323.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(N2CCCCC2)c2ccc(N3CCOCC3)cc2n1
Standard InChI: InChI=1S/C18H21N5O/c19-13-17-20-16-12-14(22-8-10-24-11-9-22)4-5-15(16)18(21-17)23-6-2-1-3-7-23/h4-5,12H,1-3,6-11H2
Standard InChI Key: YMHMOEFKEWJWOM-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: 323.40 | Molecular Weight (Monoisotopic): 323.1746 | AlogP: 2.33 | #Rotatable Bonds: 2 |
| Polar Surface Area: 65.28 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.54 | CX LogP: 3.52 | CX LogD: 3.52 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.84 | Np Likeness Score: -1.54 |
References
| 1. (2015) Morpholinylquinazolines, |
Source
Source(1):