Dibromphakellin HCl
AlkaPlorer ID: AK004027
Synonym: None
IUPAC Name: (1S,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one;hydrochloride
Structure
SMILES: C1C[C@]23[C@H](N=C(N2)N)N4C(=CC(=C4Br)Br)C(=O)N3C1.Cl
InChI: InChI=1S/C11H11Br2N5O.ClH/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13;/h4,9H,1-3H2,(H3,14,15,16);1H/t9-,11+;/m1./s1
InChIKey: ZKQQBCUDRQHYIY-XQKZEKTMSA-N
Reference
PubChem CID: 135912051
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 425.5120000000001
TPSA？: 75.64999999999999
MolLogP？: 1.7973
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | GI | 108.8 | % | 10.1016/j.bmc.2009.12.028 |
| Mus musculus | L5178Y | IC50 | nan | None | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | GI | nan | None | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Inhibition | nan | % | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 47000.0 | nM | 10.1016/j.bmc.2009.12.028 |