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Compound Detail

CHEMBL4283334

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CC1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283334
Phase Preclinical
Structure Type MOL
InChI Key NDMSQUJTCFTSNS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
4.58
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O4S
MW 420.92
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.62

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 2
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine