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(S)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carboxamide
ID: ALA3746010
Chembl Id: CHEMBL3746010
PubChem CID: 10468418
Max Phase: Preclinical
Molecular Formula: C15H17N3O2
Molecular Weight: 271.32
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(N[C@@H]1CN2CCC1CC2)c1cc2ccoc2cn1
Standard InChI: InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m1/s1
Standard InChI Key: IPKZCLGGYKRDES-CYBMUJFWSA-N
Associated Targets(non-human)
Molecule Features
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 |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 271.32 | Molecular Weight (Monoisotopic): 271.1321 | AlogP: 1.65 | #Rotatable Bonds: 2 |
Polar Surface Area: 58.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: 7.67 | CX LogP: 0.75 | CX LogD: 0.29 |
Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.90 | Np Likeness Score: -0.26 |
References
1. Ouach A, Pin F, Bertrand E, Vercouillie J, Gulhan Z, Mothes C, Deloye JB, Guilloteau D, Suzenet F, Chalon S, Routier S.. (2016) Design of α7 nicotinic acetylcholine receptor ligands using the (het)Aryl-1,2,3-triazole core: Synthesis, in vitro evaluation and SAR studies., 107 [PMID:26580980] [10.1016/j.ejmech.2015.11.001] |