Details of the Drug

General Information of Drug (ID: DMHPQI2)

Drug Name
SCHEMBL15198146
Synonyms SCHEMBL15198146
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL5793677
TTD ID
D0QQ3B
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme. US10202389.