BACAMPICILLIN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII PM034U953T
EPA CompTox DTXSID0045466

Structure

InChI Key IWVTXAGTHUECPN-ANBBSHPLSA-N
Smiles CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl
InChI
InChI=1S/C21H27N3O7S.ClH/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12;/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25);1H/t11?,13-,14-,15+,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28ClN3O7S
Molecular Weight 501.99
AlogP 1.3
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 137.26
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 46.45-80.61
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 46.45-80.61

Cross References

Resources Reference
ChEBI 2969
ChEMBL CHEMBL1200965
FDA SRS PM034U953T
KEGG C08123
PubChem 441398
SureChEMBL SCHEMBL124593
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