2-[(2S)-1-methylpyrrolidin-2-yl]pyridine
ID: ALA2068760
Chembl Id: CHEMBL2068760
PubChem CID: 13847709
Max Phase: Preclinical
Molecular Formula: C10H14N2
Molecular Weight: 162.24
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: CN1CCC[C@H]1c1ccccn1
Standard InChI: InChI=1S/C10H14N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m0/s1
Standard InChI Key: AQCRXZYYMOXFAN-JTQLQIEISA-N
Alternative Forms
ALA2068760
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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: 162.24 | Molecular Weight (Monoisotopic): 162.1157 | AlogP: 1.85 | #Rotatable Bonds: 1 |
| Polar Surface Area: 16.13 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.56 | CX LogP: 1.40 | CX LogD: 0.21 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.63 | Np Likeness Score: -0.78 |
References
| 1. Mark Wenlock and Nicholas Tomkinson. Experimental in vitro DMPK and physicochemical data on a set of publicly disclosed compounds, [10.6019/CHEMBL3301361] |
Source
Source(1):