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Compound Detail

CHEMBL5816843

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Cc1cs/c(=N\C(C)C(C)C)n1/N=C/c1ccc(O)c(O)c1O

Basic Information

ChEMBL ID CHEMBL5816843
Phase Preclinical
Structure Type MOL
InChI Key XDAKIIDAZZJVQY-XIUUYUQXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.80
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3O3S
MW 335.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 8.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
CHEMBL5768
IC50 8.75 8.75 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine