THENALIDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D04AA03
UNII: 6U94N2D00F

Structure
InChI Key KLOHYVOVXOUKQI-UHFFFAOYSA-N
Smile CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
InChI
InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N2S
Molecular Weight 286.44
AlogP 3.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135187
ChEMBL CHEMBL2105458
DrugBank DB04826
DrugCentral 2617
EPA CompTox DTXSID1048835
FDA SRS 6U94N2D00F
PubChem 27901
SureChEMBL SCHEMBL29498
ZINC ZINC000000002146
CONTENTS