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Compound Detail

CHEMBL4858493

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Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3c(C)cccc3C)c(C)c2C(=O)O)cc(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858493
Phase Preclinical
Structure Type MOL
InChI Key NVXMVIBIEYXCDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.1
MW (Da)
5.99
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30ClNO5S
MW 504.05
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.93

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