ID: ALA2287450
Chembl Id: CHEMBL2287450
PubChem CID: 76323816
Max Phase: Preclinical
Molecular Formula: C14H19ClN4
Molecular Weight: 278.79
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCN(Cc1ccc(Cl)nc1)/C(C)=N/C#N
Standard InChI: InChI=1S/C14H19ClN4/c1-3-4-5-8-19(12(2)18-11-16)10-13-6-7-14(15)17-9-13/h6-7,9H,3-5,8,10H2,1-2H3/b18-12+
Standard InChI Key: KZXSNLGQJXVOEY-LDADJPATSA-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: 278.79 | Molecular Weight (Monoisotopic): 278.1298 | AlogP: 3.63 | #Rotatable Bonds: 6 |
| 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: 3.83 | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.26 | Np Likeness Score: -1.38 |
| 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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