CLOBUTINOL

Search structure
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R05DB03
UNII: 1NY2IX043A

Structure
InChI Key KVHHQGIIZCJATJ-UHFFFAOYSA-N
Smile CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
InChI
InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22ClNO
Molecular Weight 255.79
AlogP 2.83
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 13.68
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -40.74--7.6

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 94381
ChEMBL CHEMBL1474889
DrugBank DB09004
DrugCentral 686
EPA CompTox DTXSID2022838
FDA SRS 1NY2IX043A
Human Metabolome Database HMDB32216
PubChem 26937
SureChEMBL SCHEMBL148543
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