Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2658)
Drug Name
Mebhydrolin
Synonyms
Mebhydrolin [INN]; Mebhydrolin [USAN]; Mebhydrolin [BAN]; DivK1c_000499; MEBHYDROLIN NAPHTHALENESULFONATE; NINDS_000499; Pharmakon1600-01501116; Prestwick0_000455; Prestwick1_000455; Prestwick2_000455; Prestwick3_000455; Q-201340; SCHEMBL467172; SPBio_000779; SPBio_002469; SPECTRUM1501116; Spectrum2_000680; Spectrum3_001443; Spectrum4_000100; Spectrum5_001351; Spectrum_001328; BPBio1_000584; BSPBio_000530; BSPBio_002905; CCG-38952; CHEMBL1394472; HMS1921F13; HMS501I21; KBio1_000499; KBio2_001808; KBio2_004376; KBio2_006944; KBio3_002405; KBioGR_000400; KBioSS_001808; NSC-757830; NSC757830
Indication Allergy [ICD11: 4A80] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 564.7 Topological Polar Surface Area 134
Heavy Atom Count 39 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5702169
CAS Number
524-81-2
Formula
C29H28N2O6S2
Canonical SMILES
CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
InChI
1S/C19H20N2.C10H8O6S2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
UBHSARJULCDNFC-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [2]
References
1 National Center for Advancing Translational Science-Inxight: drug (9SUK9B7XVY)
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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