Details of the Drug

General Information of Drug (ID: DMKQ0GE)

• Drug Name: SCHEMBL15198145
• Synonyms: SCHEMBL15198145
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 495.6
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C24H25N5O5S
  IUPAC Name: [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-(3-phenylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
  Canonical SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC=CC(=C4)C5=CC=CC=C5)O)O)COS(=O)(=O)N
  InChI: InChI=1S/C24H25N5O5S/c25-35(32,33)34-14-18-12-20(24(31)23(18)30)27-21-9-10-26-22-13-19(28-29(21)22)17-8-4-7-16(11-17)15-5-2-1-3-6-15/h1-11,13,18,20,23-24,27,30-31H,12,14H2,(H2,25,32,33)/t18-,20-,23-,24+/m1/s1
  InChIKey: OHUBWOCZKZLWIV-ILEGPTGMSA-N
• Cross-matching ID:
  PubChem CID: 71715083
  TTD ID: D0P3PT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ubiquitin-activating enzyme E1 (UBAE1)	TTXHWA7	UBA1_HUMAN	Inhibitor	[1]

References

• [1] Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme. US10202389.