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Compound Detail

CHEMBL3104246

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COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104246
Phase Preclinical
Structure Type MOL
InChI Key KSYNEVQBVXQRCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.9
MW (Da)
1.58
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.64
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 C19H19ClFN3O6S
MW 471.89
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -2.23

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