Details of the Drug

General Information of Drug (ID: DMG2MSX)

• Drug Name: N-(2-aminoethyl)isoquinoline-5-sulfonamide
• Synonyms: N-(2-aminoethyl)isoquinoline-5-sulfonamide; AEIQS; 84468-17-7; N-(2-aminoethyl)-5-isoquinolinesulfonamide; Protein kinase C inhibitor H-9; H-9; (2-Aminoethyl)(5-isoquinolylsulfonyl)amine; 5-Isoquinolinesulfonamide, N-(2-aminoethyl)-; CHEMBL344314; DCVZSHVZGVWQKV-UHFFFAOYSA-N; H9; Isoquinoline-5-sulfonic acid (2-amino-ethyl)-amide; C11H13N3O2S; BRD7657; BRD-7657; N-(2-aminoethyl]-5-isoquinolinesulfonamide; IQU; N-(2-Aminoethyl)isoquinoline-5-sulfonamide hydrochloride (H9); Tocris-0396; Lopac-H-123; AC1Q6ULL; H-9, DiHCl; AC1L1G6B

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); 251.31
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C11H13N3O2S
  IUPAC Name: N-(2-aminoethyl)isoquinoline-5-sulfonamide
  Canonical SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN
  InChI: InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
  InChIKey: DCVZSHVZGVWQKV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3544
  CAS Number: 84468-17-7
  TTD ID: D0C8BV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

References

• [1] Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4961-6.