5-Bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
AlkaPlorer ID: AK002868
Synonym: None
IUPAC Name: 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
Structure
SMILES: C1=CC(=CC=C1S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O)Cl
InChI: InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKey: JDVLYAYDIMUAAC-UHFFFAOYSA-N
Reference
Synthesis and Antimicrobial Activity of Calycanthaceous Alkaloid Analogues
PubChem CID: 1069140
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 390.64200000000005
TPSA？: 83.47
MolLogP？: 3.6015000000000015
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HMEC | IC50 | 3000.0 | nM | 10.1016/j.bmcl.2006.03.085 |
| Homo sapiens | Methionine aminopeptidase 1 | IC50 | nan | None | 10.1021/ml400034m |
| Homo sapiens | Methionine aminopeptidase 2 | IC50 | 9100.0 | nM | 10.1016/j.bmcl.2006.03.085 |
| Homo sapiens | Methionine aminopeptidase 2 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2006.03.085 |
| None | Unchecked | IC50 | 250000.0 | nM | 10.1021/ml400034m |