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Compound Detail

CHEMBL300129

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Cc1ccc(S(=O)(=O)n2cc(Cc3ccccc3)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300129
Phase Preclinical
Structure Type MOL
InChI Key KCTNSZPDXIBCSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

550.5
MW (Da)
6.73
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21Cl2N3O3S
MW 550.47
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
9873449 10.1016/s0960-894x(98)00324-2 Phosphodiesterase 4 2
9873449 10.1016/s0960-894x(98)00324-2 PBMC 2
9873449 10.1016/s0960-894x(98)00324-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine