Details of the Drug

General Information of Drug (ID: DMQOCAY)

• Drug Name: 2-amino-2,3-dihydro-1H-indene-5-sulfonamide
• Synonyms: CHEMBL457996; CHEMBL559179; 5-sulfamyl-2-indanamine; 2-amino-2,3-dihydro-1H-indene-5-sulfonamide; SCHEMBL11452177; FVWXUWAWIYLUJG-UHFFFAOYSA-N; BDBM50155553; 2-Amino-indan-5-sulfonic acid amide; AKOS015921614; 52069-27-9; 2-Amino-indan-5-sulfonic acid amide

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); 212.27
  Logarithm of the Partition Coefficient (xlogp); -0.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H12N2O2S
  IUPAC Name: 2-amino-2,3-dihydro-1H-indene-5-sulfonamide
  Canonical SMILES: C1C(CC2=C1C=CC(=C2)S(=O)(=O)N)N
  InChI: InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
  InChIKey: FVWXUWAWIYLUJG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20347846
  TTD ID: D07CYN

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 XII (CA-XII)	TTSYM0R	CAH12_HUMAN	Inhibitor	[1]
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_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 XII (CA-XII)	DTT	CA12	3.29E-21	1.27	1.02
Carbonic anhydrase XIV (CA-XIV)	DTT	CA14	5.79E-07	-0.09	-0.16

References

• [1] Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: structure-activity relationship and pharmacological evaluation. Eur J Med Chem. 2008 Dec;43(12):2853-60.