TRIBROMSALAN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6MCE3VTF0O

Structure
InChI Key KVSKGMLNBAPGKH-UHFFFAOYSA-N
Smile O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChI
InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H8Br3NO2
Molecular Weight 449.92
AlogP 4.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 2000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 2000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 623 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 715 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2987 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 5015 - - -
Enzyme Oxidoreductase
- 2065 - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 30.79-100.21

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 127105
ChEMBL CHEMBL24944
EPA CompTox DTXSID4026181
FDA SRS 6MCE3VTF0O
PubChem 14868
SureChEMBL SCHEMBL121315
ZINC ZINC000000538492
CONTENTS