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Compound Detail

CHEMBL3759177

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CCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3759177
Phase Preclinical
Structure Type MOL
InChI Key WJRGPYNPFGAEOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.4
MW (Da)
3.56
ALogP
7
HBA
3
HBD
123.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N6O4
MW 444.45
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
26810265 10.1016/j.bmcl.2016.01.030 SUMO-activating enzyme subunit 1 3

Data from ChEMBL 36 via Core Engine