ID: ALA2287452
Chembl Id: CHEMBL2287452
PubChem CID: 76320155
Max Phase: Preclinical
Molecular Formula: C11H13ClN4
Molecular Weight: 236.71
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC/C(=N\C#N)N(C)Cc1ccc(Cl)nc1
Standard InChI: InChI=1S/C11H13ClN4/c1-3-11(15-8-13)16(2)7-9-4-5-10(12)14-6-9/h4-6H,3,7H2,1-2H3/b15-11+
Standard InChI Key: OPFFMHIZJROPHR-RVDMUPIBSA-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: 236.71 | Molecular Weight (Monoisotopic): 236.0829 | AlogP: 2.46 | #Rotatable Bonds: 3 |
| 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: 4.16 | CX LogP: 1.81 | CX LogD: 1.81 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.35 | Np Likeness Score: -1.72 |
| 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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