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Compound Detail

CHEMBL6028567

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Cc1cs/c(=N\C2CCCc3ccccc32)n1/N=C/c1cc(O)c(O)cc1O

Basic Information

ChEMBL ID CHEMBL6028567
Phase Preclinical
Structure Type MOL
InChI Key IDMNEOMLSXKENU-VPEKAMMISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.84
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O3S
MW 395.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
CHEMBL5768
IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine