| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA78735
Max Phase: Preclinical
Molecular Formula: C30H35N3O2
Molecular Weight: 469.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(CCCCCCCCNC(=O)c1cccc2c(O)c3ccccc3nc12)Cc1ccccc1
Standard InChI: InChI=1S/C30H35N3O2/c1-33(22-23-14-7-6-8-15-23)21-12-5-3-2-4-11-20-31-30(35)26-18-13-17-25-28(26)32-27-19-10-9-16-24(27)29(25)34/h6-10,13-19H,2-5,11-12,20-22H2,1H3,(H,31,35)(H,32,34)
Standard InChI Key: RWRAXRAZYXBTNI-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: 469.63 | Molecular Weight (Monoisotopic): 469.2729 | AlogP: 6.30 | #Rotatable Bonds: 12 |
| Polar Surface Area: 65.46 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.24 | CX Basic pKa: 9.46 | CX LogP: 5.44 | CX LogD: 4.68 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.19 | Np Likeness Score: -0.81 |
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):