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Compound Detail

CHEMBL3765635

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CS(=O)(=O)c1ccc(C(CC2CCCC2)c2nc3ncccc3[nH]2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765635
Phase Preclinical
Structure Type MOL
InChI Key MLDNEBSJFNQGOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.9
MW (Da)
4.73
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.67
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 C20H22ClN3O2S
MW 403.94
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
26685731 10.1021/acs.jmedchem.5b01594 Hexokinase-4 3

Data from ChEMBL 36 via Core Engine