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
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
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]
Molecular Interaction Atlas (MIA) 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.