ID: ALA2286742
Chembl Id: CHEMBL2286742
Cas Number: 112226-97-8
PubChem CID: 181402
Max Phase: Preclinical
Molecular Formula: C18H18Cl2N2O2
Molecular Weight: 365.26
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1Cl
Standard InChI: InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(21-16(23)12-7-5-4-6-8-12)17(24)14-10-9-13(19)11-15(14)20/h4-11H,1-3H3,(H,21,23)
Standard InChI Key: LJLPDLHRHNGALA-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 365.26 | Molecular Weight (Monoisotopic): 364.0745 | AlogP: 4.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.92 | CX Basic pKa: ┄ | CX LogP: 4.57 | CX LogD: 4.57 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.79 | Np Likeness Score: -1.09 |
| 1. Soin T, Swevers L, Kotzia G, Iatrou K, Janssen CR, Rougé P, Harada T, Nakagawa Y, Smagghe G.. (2010) Comparison of the activity of non-steroidal ecdysone agonists between dipteran and lepidopteran insects, using cell-based EcR reporter assays., 66 (11): [PMID:20672340] [10.1002/ps.1998] |
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