Details of the Drug

General Information of Drug (ID: DMJC7NF)

Drug Name
Ferulic Acid
Synonyms
ferulic acid; trans-Ferulic Acid; 1135-24-6; 4-Hydroxy-3-methoxycinnamic acid; 537-98-4; trans-4-Hydroxy-3-methoxycinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; (E)-Ferulic acid; ferulate; Coniferic acid; Ferulic acid, trans-; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; Cinnamic acid, 4-hydroxy-3-methoxy-; 3-methoxy-4-hydroxycinnamic acid; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; UNII-AVM951ZWST; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 194.18
Topological Polar Surface Area (xlogp) 1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H10O4
IUPAC Name
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Canonical SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey
KSEBMYQBYZTDHS-HWKANZROSA-N
Cross-matching ID
PubChem CID
445858
ChEBI ID
CHEBI:17620
CAS Number
537-98-4
DrugBank ID
DB07767
TTD ID
D03SLR
INTEDE ID
DR2602

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [1]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [1]
Carbonic anhydrase VI (CA-VI) TTCFSPE CAH6_HUMAN Inhibitor [1]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_HUMAN Inhibitor [1]
Carbonic anhydrase XIV (CA-XIV) TTEYTKG CAH14_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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