General Information of Drug (ID: DMQHM2D)

Drug Name
Benzylpenicilloyl Polylysine
Synonyms
Benzylpenicilloyl; Benzylpenicilloyl G; Benzylpenicilloyl G polylysine; Benzylpenicilloyl-polylysine; Penicilloyl-polylysine; 2-(2-((5-Carboxypentyl)amino)-2-oxo-1-((phenylacetyl)amino)ethyl)-5,5-dimethyl-4-thiazolidinecarboxylic acid; 2-[2-[(6-hydroxy-6-oxohexyl)amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
4
Molecular Weight 626.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 17
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 13
Chemical Identifiers
Formula
C28H46N6O8S
IUPAC Name
(2R,4S)-2-[2-[[(5R)-5-amino-5-carboxypentyl]amino]-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(2R)-2,6-diaminohexanoic acid
Canonical SMILES
CC1([C@@H](N[C@H](S1)C(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CC2=CC=CC=C2)C(=O)O)C.C(CCN)C[C@H](C(=O)O)N
InChI
InChI=1S/C22H32N4O6S.C6H14N2O2/c1-22(2)17(21(31)32)26-19(33-22)16(25-15(27)12-13-8-4-3-5-9-13)18(28)24-11-7-6-10-14(23)20(29)30;7-4-2-1-3-5(8)6(9)10/h3-5,8-9,14,16-17,19,26H,6-7,10-12,23H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H,31,32);5H,1-4,7-8H2,(H,9,10)/t14-,16?,17+,19-;5-/m11/s1
InChIKey
IMPVZRLKKKXMKQ-SGDOCVTFSA-N
Cross-matching ID
PubChem CID
45266800
ChEBI ID
CHEBI:59297
CAS Number
31855-75-1
DrugBank ID
DB00895
TTD ID
D0J7TM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Immunoglobulin epsilon Fc receptor gamma (FCERG) TTDGEC0 FCERG_HUMAN Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drug information of Benzylpenicilloyl Polylysine, 2008. eduDrugs.
2 Penicillin allergy: anti-penicillin IgE antibodies and immediate hypersensitivity skin reactions employing major and minor determinants of penicillin. Arch Dis Child. 1980 Nov;55(11):857-60.