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(3R)-Methylazacyclodecane
ID: ALA4546783
Chembl Id: CHEMBL4546783
PubChem CID: 11205898
Max Phase: Preclinical
Molecular Formula: C10H21N
Molecular Weight: 155.28
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: C[C@@H]1CCCCCCCNC1
Standard InChI: InChI=1S/C10H21N/c1-10-7-5-3-2-4-6-8-11-9-10/h10-11H,2-9H2,1H3/t10-/m1/s1
Standard InChI Key: XAVGEVIBENPYFK-SNVBAGLBSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | 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: 155.28 | Molecular Weight (Monoisotopic): 155.1674 | AlogP: 2.57 | #Rotatable Bonds: 0 |
Polar Surface Area: 12.03 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: 10.90 | CX LogP: 2.80 | CX LogD: -0.25 |
Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.57 | Np Likeness Score: 0.44 |
References
1. Kim CK, Woo JK, Lee YJ, Lee HS, Sim CJ, Oh DC, Oh KB, Shin J.. (2016) Callyazepin and (3R)-Methylazacyclodecane, Nitrogenous Macrocycles from a Callyspongia sp. Sponge., 79 (4): [PMID:27015002] [10.1021/acs.jnatprod.5b01078] |