Details of the Drug

General Information of Drug (ID: DM624WO)

• Drug Name: AL5927
• Synonyms: AL5927; n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide; 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide; N-(4-methoxybenzyl)thiophene-2,5-disulfonamide; AL9; 1bn4; AC1L1HW5; SCHEMBL680127; BDBM11930; 2,5-Thiophenedisulfonamide, N2-[(4-methoxyphenyl)methyl]-; DB03526

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); 362.5
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C12H14N2O5S3
  IUPAC Name: 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide
  Canonical SMILES: COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N
  InChI: InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
  InChIKey: LRRAIRJIZOLGPR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4316
  DrugBank ID: DB03526
  TTD ID: D0M8HC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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 II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.