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Compound Detail

CHEMBL1929213

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CC(C)(C)c1cc(C(=O)N2CC[S+]([O-])CC2)c(NC(=O)Nc2cccc3ccccc23)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929213
Phase Preclinical
Structure Type MOL
InChI Key DXLJFZKURZWONB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
5.05
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O3S2
MW 469.63
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
22014550 10.1016/j.bmcl.2011.09.078 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine