Details of the Drug

General Information of Drug (ID: DMKJGLO)

• Drug Name: ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
• Synonyms: Ethyl 3-[4-(Aminosulfonyl)phenyl]propanoate; ethyl 3-(4-sulfamoylphenyl)propanoate; 2nnv; M29; 2nn7; AKOS009166834; DB08157; 4-PROPYL BENZENESULFONAMIDE ETHYL ESTER

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); 257.31
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C11H15NO4S
  IUPAC Name: ethyl 3-(4-sulfamoylphenyl)propanoate
  Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N
  InChI: InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)
  InChIKey: OJBJALUJMRMNIR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16122582
  DrugBank ID: DB08157
  TTD ID: D00ZUQ

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] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.