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Compound Detail

CHEMBL3310831

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COc1cc2[nH]c(=O)n(CC(N)=O)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310831
Phase Preclinical
Structure Type MOL
InChI Key YUZGLBMXNPELSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
1.93
ALogP
6
HBA
3
HBD
136.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N4O5S
MW 445.28
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
24909677 10.1016/j.bmc.2014.05.021 C-C chemokine receptor type 4 2
24909677 10.1016/j.bmc.2014.05.021 No relevant target 2

Data from ChEMBL 36 via Core Engine