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Compound Detail

CHEMBL3590189

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Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)CCN(Cc3ccccc3)C(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3590189
Phase Preclinical
Structure Type MOL
InChI Key GXJAXPIQTKTICI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.7
MW (Da)
4.80
ALogP
4
HBA
0
HBD
60.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N3O3S
MW 507.70
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
25593096 10.1016/j.bmc.2014.12.033 Kappa-type opioid receptor 5

Data from ChEMBL 36 via Core Engine