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Compound Detail

CHEMBL4854760

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Cc1cc(OCCCn2c(C)c(S(=O)(=O)C3CCCCC3)c(C)c2C(=O)O)cc(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4854760
Phase Preclinical
Structure Type MOL
InChI Key GWTCEBCFZOKARQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.0
MW (Da)
5.65
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32ClNO5S
MW 482.04
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
34342996 10.1021/acs.jmedchem.1c00682 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine