(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

Alternative Forms

  1. Parent:

Associated Targets(Human)

A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Bacillus spizizenii (1898 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Proteus vulgaris (5823 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 155.28Molecular Weight (Monoisotopic): 155.1674AlogP: 2.57#Rotatable Bonds: 0
Polar Surface Area: 12.03Molecular Species: BASEHBA: 1HBD: 1
#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: 10.90CX LogP: 2.80CX LogD: -0.25
Aromatic Rings: 0Heavy Atoms: 11QED Weighted: 0.57Np 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]

Source