Details of the Drug

General Information of Drug (ID: DMWDHUZ)

Drug Name

Propicillin

Synonyms

Propicillin; propicilline; Propicilina; Propicillinum; 551-27-9; UNII-8X1R260V33; phenoxypropylpenicillin; CHEBI:52429; 8X1R260V33; 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (1-Phenoxypropyl)penicillin; Propicillinum [INN-Latin]; Propicilina [INN-Spanish]; Propicilline [INN-French]; Propicillin [INN:BAN:DCF]; Propicillin (BAN); EINECS 208-995-5; AC1Q5QWR; NCGC00160673-01; AC1L3P0Y

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

378.4

Topological Polar Surface Area (xlogp)

2.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H22N2O5S
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Canonical SMILES: CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
InChI: InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1
InChIKey: HOCWPKXKMNXINF-XQERAMJGSA-N

Cross-matching ID

PubChem CID: 92879
ChEBI ID: CHEBI:52429
CAS Number: 551-27-9
DrugBank ID: DB13660
TTD ID: D0WV4M
VARIDT ID: DR00720

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Monocarboxylate transporter 2 (SLC16A7)	DTLT3UG	MOT2_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Monocarboxylate Transporters in Drug Disposition: Role in the Toxicokinetics and Toxicodynamics of the Drug of Abuse GHB.
3	Clinical and Functional Relevance of the Monocarboxylate Transporter Family in Disease Pathophysiology and Drug Therapy. Clin Transl Sci. 2018 Jul;11(4):352-364.
4	Characterization of the high-affinity monocarboxylate transporter MCT2 in Xenopus laevis oocytes. Biochem J. 1999 Aug 1;341 ( Pt 3):529-35.