Details of the Drug

General Information of Drug (ID: DM71EMN)

• Drug Name: 3-(ethoxycarbonyl)phenylboronic acid
• Synonyms: 3-Ethoxycarbonylphenylboronic acid; 4334-87-6; 3-(Ethoxycarbonyl)phenylboronic acid; (3-ethoxycarbonylphenyl)boronic Acid; 3-carbethoxyphenylboronic acid; (3-(ethoxycarbonyl)phenyl)boronic acid; m-ethoxycarbonylphenylboronic acid; 3-Ethoxycarbonylbenzeneboronic acid; Ethyl 3-(Dihydroxyboranyl)Benzoate; MFCD02179444; [3-(ethoxycarbonyl)phenyl]boronic acid; 3-(ethoxycarbonyl)benzeneboronic acid; 3-(ethoxycarbonyl)phenyl boronic acid; Akos Brn-0097; BENZOIC ACID, 3-BORONO-, 1-ETHYL ESTER; PubChem6092; Phenylboronic Acid, 2

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 193.99
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C9H11BO4
  IUPAC Name: (3-ethoxycarbonylphenyl)boronic acid
  Canonical SMILES: B(C1=CC(=CC=C1)C(=O)OCC)(O)O
  InChI: InChI=1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3
  InChIKey: REHVCPNQQBDOJJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3249312
  CAS Number: 4334-87-6
  TTD ID: D05FZP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Nov 27;51(22):7057-60.