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Compound Detail

CHEMBL2376283

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CC1(C)OC(=O)c2c1ccn(-c1ccc(S(=O)(=O)Nc3ncccn3)cc1)c2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376283
Phase Preclinical
Structure Type MOL
InChI Key QMRGHTSUKMLOSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
1.83
ALogP
8
HBA
1
HBD
120.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4O5S
MW 412.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
23541650 10.1016/j.bmcl.2013.02.079 Unchecked 3
23541650 10.1016/j.bmcl.2013.02.079 Cathepsin B 1

Data from ChEMBL 36 via Core Engine