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Compound Detail

CHEMBL4166980

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CNc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166980
Phase Preclinical
Structure Type MOL
InChI Key HOWYNCQAMVQWHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.7
MW (Da)
2.80
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.85
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 C9H8BrClN4O2S2
MW 383.68
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
28947948 10.1021/acsmedchemlett.7b00315 C-C chemokine receptor type 4 2

Data from ChEMBL 36 via Core Engine