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Compound Detail

CHEMBL3358590

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Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(CC2CC2)c2ccc(C(=O)O)c(O)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358590
Phase Preclinical
Structure Type MOL
InChI Key OEGULECQHUQQEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
3.08
ALogP
5
HBA
2
HBD
115.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O6S
MW 460.55
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
25419444 10.1021/ml500165r Signal transducer and activator of transcription 5B 1

Data from ChEMBL 36 via Core Engine