CARBETAPENTANE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 32C726X12W

Structure
InChI Key CFJMRBQWBDQYMK-UHFFFAOYSA-N
Smile CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1
InChI
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NO3
Molecular Weight 333.47
AlogP 3.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 38.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S28 family
- 32 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 76-76 -
Membrane receptor
- - - 11-41 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 3090-3090 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 1550 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 94484
ChEMBL CHEMBL73234
DrugBank DB11186
DrugCentral 494
EPA CompTox DTXSID9022734
FDA SRS 32C726X12W
SureChEMBL SCHEMBL67879
ZINC ZINC000003830375
CONTENTS