| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1906206
Max Phase: Preclinical
Molecular Formula: C18H27NO6
Molecular Weight: 353.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
Standard InChI: InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13?,14-,17-,18+/m1/s1
Standard InChI Key: SOODLZHDDSGRKL-RZHLWBOVSA-N
Associated Targets(Human)
DNA polymerase kappa 8653 Activities
Molecule Features
| Natural Product: Yes | 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: 353.42 | Molecular Weight (Monoisotopic): 353.1838 | AlogP: 0.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 96.30 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.49 | CX Basic pKa: 8.08 | CX LogP: 0.40 | CX LogD: -0.36 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.51 | Np Likeness Score: 2.39 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):