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Compound Detail

CHEMBL4063189

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CCn1[nH]c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063189
Phase Preclinical
Structure Type MOL
InChI Key YNTSSZATTCXECQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.2
MW (Da)
2.25
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.71
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 C13H11Cl2N5O3S
MW 388.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
28801066 10.1016/j.bmc.2017.07.052 No relevant target 2
28801066 10.1016/j.bmc.2017.07.052 C-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine