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Compound Detail

CHEMBL3104256

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C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104256
Phase Preclinical
Structure Type MOL
InChI Key HJWANHAWGBVAOG-FYJGNVAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
1.91
ALogP
6
HBA
1
HBD
101.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN4O4S
MW 422.89
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.45

Literature References

PubMed DOI Target Context # Activities
24237195 10.1021/jm400870h T47D 1
24237195 10.1021/jm400870h Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine