| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3706591
Max Phase: Preclinical
Molecular Formula: C26H27N3O3
Molecular Weight: 429.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1
Standard InChI: InChI=1S/C26H27N3O3/c1-3-29(4-2)16-17-32-19-14-12-18(13-15-19)27-26(31)22-10-7-9-21-24(22)28-23-11-6-5-8-20(23)25(21)30/h5-15H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,30)
Standard InChI Key: SIUIOIMGSVGHKG-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: 429.52 | Molecular Weight (Monoisotopic): 429.2052 | AlogP: 4.65 | #Rotatable Bonds: 8 |
| Polar Surface Area: 74.43 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.32 | CX LogP: 5.87 | CX LogD: 3.95 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.40 | 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):