| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3427779
Max Phase: Preclinical
Molecular Formula: C19H20N2O2
Molecular Weight: 308.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCCc1ccccc1
Standard InChI: InChI=1S/C19H20N2O2/c20-17(12-15-13-21-18-9-5-4-8-16(15)18)19(22)23-11-10-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12,20H2/t17-/m0/s1
Standard InChI Key: NYKFOWIYHJJZSZ-KRWDZBQOSA-N
Associated Targets(Human)
DNA repair protein RAD51 homolog 1 504 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: 308.38 | Molecular Weight (Monoisotopic): 308.1525 | AlogP: 2.82 | #Rotatable Bonds: 6 |
| Polar Surface Area: 68.11 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.92 | CX LogP: 3.34 | CX LogD: 3.21 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.69 | Np Likeness Score: 0.01 |
References
| 1. Magee TV.. (2015) Progress in discovery of small-molecule modulators of protein-protein interactions via fragment screening., 25 (12): [PMID:25971770] [10.1016/j.bmcl.2015.04.089] |
Source
Source(1):