BROTIZOLAM

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Synonyms
Status
Molecule Category Free-form
ATC N05CD09
UNII 5XZM1R3DKF
EPA CompTox DTXSID0022692

Structure

InChI Key UMSGKTJDUHERQW-UHFFFAOYSA-N
Smiles Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2
InChI
InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10BrClN4S
Molecular Weight 393.7
AlogP 4.4
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 43.07
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) PAF receptor
- 300 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 300 - - -
Cavia porcellus
- - - - 11
Rattus norvegicus
- 2.6 - - -

Cross References

Resources Reference
ChEBI 31308
ChEMBL CHEMBL32479
DrugBank DB09017
DrugCentral 409
FDA SRS 5XZM1R3DKF
PubChem 2451
SureChEMBL SCHEMBL44067
ZINC ZINC000002570830
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