| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1904190
Max Phase: Preclinical
Molecular Formula: C23H26N4O3
Molecular Weight: 406.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)c1
Standard InChI: InChI=1S/C23H26N4O3/c1-15-8-7-9-16(12-15)21(28)24-17-13-19-20(26(3)23(30)22(29)25(19)2)14-18(17)27-10-5-4-6-11-27/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,24,28)
Standard InChI Key: GYBWVEVLWFCVLR-UHFFFAOYSA-N
Associated Targets(Human)
DNA polymerase kappa 8653 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: 406.49 | Molecular Weight (Monoisotopic): 406.2005 | AlogP: 2.79 | #Rotatable Bonds: 3 |
| Polar Surface Area: 76.34 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.12 | CX LogP: 2.92 | CX LogD: 2.92 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.68 | Np Likeness Score: -1.34 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):