| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2269972
Max Phase: Preclinical
Molecular Formula: C25H36ClN3O4
Molecular Weight: 478.03
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(=O)N(CCOc1ccc(CCOCC)cc1C)C(=O)c1c(Cl)c(C)nn1C
Standard InChI: InChI=1S/C25H36ClN3O4/c1-6-8-9-10-22(30)29(25(31)24-23(26)19(4)27-28(24)5)14-16-33-21-12-11-20(17-18(21)3)13-15-32-7-2/h11-12,17H,6-10,13-16H2,1-5H3
Standard InChI Key: UPDGIZHFPBMNIC-UHFFFAOYSA-N
Associated Targets(non-human)
Oryzias latipes 115 Activities
Tetranychus urticae 2600 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 478.03 | Molecular Weight (Monoisotopic): 477.2394 | AlogP: 4.90 | #Rotatable Bonds: 13 |
| Polar Surface Area: 73.66 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.33 | CX LogP: 4.83 | CX LogD: 4.83 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.38 | Np Likeness Score: -0.99 |
References
| 1. OBATA T, FUJII K, FUNAKI E, TSUTSUMIUTI K, OHOKA A, SUIZU S, KANETSUKI Y. (1999) Synthesis and Selective Bioactivity of New Pyrazolecarboxamide Derivatives, 24 (1): [10.1584/jpestics.24.33] |
Source
Source(1):