EBROTIDINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TMZ3IBW2OW

Structure
InChI Key ZQHFZHPUZXNPMF-UHFFFAOYSA-N
Smile N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1
InChI
InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17BrN6O2S3
Molecular Weight 477.44
AlogP 2.45
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 133.32
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist PubMed PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135774
ChEMBL CHEMBL1742471
DrugCentral 979
EPA CompTox DTXSID80143601
FDA SRS TMZ3IBW2OW
Human Metabolome Database HMDB0041885
PubChem 65869
SureChEMBL SCHEMBL33956
ZINC ZINC000003952167
CONTENTS