Details of the Drug

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

Affected Organisms

Humans and other mammals

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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: CHEMBL59297
CAS Number: 31855-75-1
UNII: 76479814OY
DrugBank ID: DB00895
TTD ID: D0J7TM

Drug ADMET Endpoint Profile (DAE)^NEW

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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)

MIA Detail

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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.