Details of the Drug

General Information of Drug (ID: DMQW5MH)

Drug Name
Metampicillin
Synonyms
(2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanic acid; Blomopen; Bonopen; CHEBI:52060; Celinmicina; Elatocilline; G0H6U7VSTK; METHAMPICILLIN; Magnipen; Metampicilina; Metampicillina; Metampicilline; Metampicillinum; Micinovo; Pangocilin; Probiotic; Relyothenate; Ruticina; Rutizina; Sedomycin; Suvipen; UNII-G0H6U7VSTK; Viderpen; Viderpin; Vioplex; metampicillin; metampilene
Therapeutic Class
Anti-Bacterial Agents
ATC Code
J01CA14: Metampicillin
J01CA: Penicillins with extended spectrum
J01C: BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
J01CA14: Metampicillin
J01CA: Penicillins with extended spectrum
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) 361.416
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H19N3O4S
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N=C)C(=O)O)C
InChI
InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1
InChIKey
FZECHKJQHUVANE-MCYUEQNJSA-N
Cross-matching ID
PubChem CID
6713928
ChEBI ID
CHEMBL52060
CAS Number
6489-97-0
UNII
G0H6U7VSTK
DrugBank ID
DB13836
VARIDT ID
DR01338
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Peptide transporter 2 (SLC15A2) DT8QKNP S15A2_HUMAN Substrate [1]
Peptide transporter 1 (SLC15A1) DT9G7XN S15A1_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Transport characteristics of a novel peptide transporter 1 substrate, antihypotensive drug midodrine, and its amino acid derivatives. J Pharmacol Exp Ther. 2006 Jul;318(1):455-60.