General Information of Drug (ID: DME5Y64)

Drug Name
Tranilast
Synonyms
tranilast; 53902-12-8; Rizaben; trans-Tranilast; Tranilastum; 70806-55-2; MK 341; N-(3,4-Dimethoxycinnamoyl)anthranilic acid; Tranilastum [INN-Latin]; Tranilast [USAN:INN:JAN]; Tranpro; UNII-HVF50SMY6E; SB-252218; MK-341; Tranilast (SB 252218); 3,4-DAA; n-(3',4'-dimethoxycinnamoyl) anthranilic acid; HVF50SMY6E; MLS000028468; CHEBI:77572; C18H17NO5; Anthranilic acid, N-(3,4-dimethoxycinnamoyl)-; NZHGWWWHIYHZNX-CSKARUKUSA-N; 2-((3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic acid; MFCD00864787; T 0318; NU-3450; Rizaben (TN); Tranilast (JAN/USAN/INN); Rizaben, SB 252218, MK 341, Tranpro ,Tranilast; N-(3',4'-dimethoxycinnamoyl) anthranilic acid; N-(3′ -Dimethoxycinnamoyl)anthranilic Acid; 2-({(2E)-3-[3,4-bis(methyloxy)phenyl]prop-2-enoyl}amino)benzoic acid; 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino] benzoic acid; Molecule 20
Indication
Disease Entry ICD 11 Status REF
Ocular allergy 4A81 Approved [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.3
Topological Polar Surface Area (xlogp) 3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H17NO5
IUPAC Name
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Canonical SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC
InChI
InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
InChIKey
NZHGWWWHIYHZNX-CSKARUKUSA-N
Cross-matching ID
PubChem CID
5282230
ChEBI ID
CHEBI:77572
CAS Number
53902-12-8
DrugBank ID
DB07615
TTD ID
D0E6OC
INTEDE ID
DR1628

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Antagonist [2]
Steryl-sulfatase (STS) TTHM0R1 STS_HUMAN Inhibitor [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [4]
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Ocular allergy
ICD Disease Classification 4A81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Cytochrome P450 2C9 (CYP2C9) DME CYP2C9 2.35E-01 2.78E-02 2.09E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 1.76E-01 1.26E-01 8.27E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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