Details of the Drug

General Information of Drug (ID: DM86HTZ)

• Drug Name: 2-Hydroxycinnamic acid
• Synonyms: 2-Hydroxy Cinnamic Acid; 3-(2-hydroxyphenyl)prop-2-enoic acid; Orthocumarsaure; ACMC-1BBQC; AC1L1YJR; 2-HYDROXYCINNAMICACID; CTK1F7842; CTK1H2007; CTK1B5135; PMOWTIHVNWZYFI-UHFFFAOYSA-N; MolPort-006-109-312; HMS3604C08; KS-00000X9C; EINECS 209-500-5; AKOS026677434; MCULE-7485332494; SY048367; FT-0612592; FT-0612591; MFCD00004379 (97%); 2-Propenoic acid, 3-(hydroxyphenyl)-, (Z)-; 2-Propenoic acid, 3-(hydroxyphenyl)-, (2E)-; 38094-41-6

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 164.16
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H8O3
  IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid
  Canonical SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)O
  InChI: InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
  InChIKey: PMOWTIHVNWZYFI-AATRIKPKSA-N
• Cross-matching ID:
  PubChem CID: 637540
  ChEBI ID: CHEBI:18125
  CAS Number: 614-60-8
  UNII: 23AU5FZB9C
  DrugBank ID: DB01650
  TTD ID: D05WQF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.