| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3427780
Max Phase: Preclinical
Molecular Formula: C26H24N2O3
Molecular Weight: 412.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCCc1ccccc1)c1ccccc1
Standard InChI: InChI=1S/C26H24N2O3/c29-25(20-11-5-2-6-12-20)28-24(17-21-18-27-23-14-8-7-13-22(21)23)26(30)31-16-15-19-9-3-1-4-10-19/h1-14,18,24,27H,15-17H2,(H,28,29)/t24-/m0/s1
Standard InChI Key: QIVLIHIIKZYBAH-DEOSSOPVSA-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: 412.49 | Molecular Weight (Monoisotopic): 412.1787 | AlogP: 4.29 | #Rotatable Bonds: 8 |
| Polar Surface Area: 71.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.01 | CX LogD: 5.01 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.42 | Np Likeness Score: -0.32 |
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):