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Compound Detail

CHEMBL442270

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CS(=O)(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(S(C)(=O)=O)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442270
Phase Preclinical
Structure Type MOL
InChI Key CILMSESADJTVIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
99.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O4S2
MW 402.50
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
17602463 10.1021/jm070040e MCF7 1

Data from ChEMBL 36 via Core Engine