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]
ATC Code
J01CE03: Propicillin
J01CE: Beta-lactamase sensitive penicillins
J01C: BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
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
CHEMBL52429
CAS Number
551-27-9
UNII
8X1R260V33
DrugBank ID
DB13660
TTD ID
D0WV4M
VARIDT ID
DR00720
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.