ID: ALA2287455
Chembl Id: CHEMBL2287455
PubChem CID: 76334631
Max Phase: Preclinical
Molecular Formula: C13H17ClN4
Molecular Weight: 264.76
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCC/C(=N\C#N)N(C)Cc1ccc(Cl)nc1
Standard InChI: InChI=1S/C13H17ClN4/c1-3-4-5-13(17-10-15)18(2)9-11-6-7-12(14)16-8-11/h6-8H,3-5,9H2,1-2H3/b17-13+
Standard InChI Key: XIMAVZOSPGNLKM-GHRIWEEISA-N
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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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 264.76 | Molecular Weight (Monoisotopic): 264.1142 | AlogP: 3.24 | #Rotatable Bonds: 5 |
| Polar Surface Area: 52.28 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.09 | CX LogP: 2.70 | CX LogD: 2.70 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.36 | Np Likeness Score: -1.49 |
| 1. KIRIYAMA K, ITAZU Y, KAGABU S, NISHIMURA K. (2003) Insecticidal and Neuroblocking Activities of Acetamiprid and Related Compounds, 28 (1): [10.1584/jpestics.28.8] |
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