| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3706596
Max Phase: Preclinical
Molecular Formula: C30H27N3O3
Molecular Weight: 477.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1
Standard InChI: InChI=1S/C30H27N3O3/c1-33(20-21-8-3-2-4-9-21)18-19-36-23-16-14-22(15-17-23)31-30(35)26-12-7-11-25-28(26)32-27-13-6-5-10-24(27)29(25)34/h2-17H,18-20H2,1H3,(H,31,35)(H,32,34)
Standard InChI Key: JRSCZVLXYATRAH-UHFFFAOYSA-N
Associated Targets(non-human)
CHRC5 cell line 91 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: 477.56 | Molecular Weight (Monoisotopic): 477.2052 | AlogP: 5.44 | #Rotatable Bonds: 8 |
| Polar Surface Area: 74.43 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.67 | CX LogP: 6.88 | CX LogD: 5.59 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.29 | Np Likeness Score: -1.04 |
References
| 1. Dodic N, Dumaitre B, Daugan A, Pianetti P.. (1995) Synthesis and activity against multidrug resistance in Chinese hamster ovary cells of new acridone-4-carboxamides., 38 (13): [PMID:7608906] [10.1021/jm00013a017] |
Source
Source(1):