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Compound Detail

CHEMBL376070

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CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CCN(C)CC3)c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376070
Phase Preclinical
Structure Type MOL
InChI Key PDIBBCTZVFJGTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
3.19
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N4O4S
MW 500.67
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
17266208 10.1021/jm061118e C-C chemokine receptor type 8 1

Data from ChEMBL 36 via Core Engine