ID: ALA2286838
Chembl Id: CHEMBL2286838
PubChem CID: 76327345
Max Phase: Preclinical
Molecular Formula: C14H24N2
Molecular Weight: 220.36
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCN(CCCC)Cc1cccnc1
Standard InChI: InChI=1S/C14H24N2/c1-3-5-10-16(11-6-4-2)13-14-8-7-9-15-12-14/h7-9,12H,3-6,10-11,13H2,1-2H3
Standard InChI Key: ZQTJXFGUXQBJSN-UHFFFAOYSA-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: 220.36 | Molecular Weight (Monoisotopic): 220.1939 | AlogP: 3.48 | #Rotatable Bonds: 8 |
| Polar Surface Area: 16.13 | Molecular Species: BASE | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 9.17 | CX LogP: 3.34 | CX LogD: 1.57 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.67 | Np Likeness Score: -1.52 |
| 1. TOMIZAWA M, YAMAMOTO I. (1992) Binding of Nicotinoids and the Related Compounds to the Insect Nicotinic Acetyicholine Receptor, 17 (4): [10.1584/jpestics.17.4_231] |
Source(1):
