Details of the Drug

General Information of Drug (ID: DMHPQI2)

• Drug Name: SCHEMBL15198146
• Synonyms: SCHEMBL15198146
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 433.5
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C19H23N5O5S
  IUPAC Name: [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]methyl sulfamate
  Canonical SMILES: CC1=NC2=CC(=NN2C(=C1)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)N)C4=CC=CC=C4
  InChI: InChI=1S/C19H23N5O5S/c1-11-7-16(22-15-8-13(18(25)19(15)26)10-29-30(20,27)28)24-17(21-11)9-14(23-24)12-5-3-2-4-6-12/h2-7,9,13,15,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t13-,15-,18-,19+/m1/s1
  InChIKey: LFVBSFKFKWBKIB-LRHNDGHRSA-N
• Cross-matching ID:
  PubChem CID: 71715084
  TTD ID: D0QQ3B

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.