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

General Information of Drug (ID: DR3376)
Drug Name
Ramatroban
Synonyms
116649-85-5; Baynas; BAY u3405; Bay u-3405; Bay u 3406; Bay-u-3405; Bay u 3405; BAY-u 3405; UNII-P1ALI72U6C; C21H21FN2O4S; 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid; P1ALI72U6C; 3-(4-Fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid; CHEMBL361812; (+)-(3R)-3-(p-Fluorobenzenesulfonamido)-1,2,3,4-tetrahydrocarbazole-9-propionic acid; NCGC00167519-01; EN-137774; DSSTox_RID_81819; Baynas (TN); Ramatroban (JAN/INN); [3H]ramatroban
Indication Allergic rhinitis [ICD11: CA08] Phase 2/3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 416.5 Topological Polar Surface Area 96.8
Heavy Atom Count 29 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
123879
ChEBI ID
CHEBI:32087
CAS Number
116649-85-5
TTD Drug ID
D0GC5H
Formula
C21H21FN2O4S
Canonical SMILES
C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
InChI
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
InChIKey
LDXDSHIEDAPSSA-OAHLLOKOSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Ramatroban Metabolite M1 DM018473 N. A. Conjugation - Acylation 1 [2]
Ramatroban Metabolite M2 DM018474 N. A. Conjugation - Acylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010497 Ramatroban Ramatroban Metabolite M1 Conjugation - Acylation CYP3A4 [2]
MR010498 Ramatroban Metabolite M1 Ramatroban Metabolite M2 Conjugation - Acylation CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1911).
2 Ramatroban for chemoprophylaxis and treatment of COVID-19: David takes on Goliath

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