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Compound Detail

CHEMBL5936425

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Cc1cs/c(=N\C2CC3CCC2C3)n1/N=C/c1cc(O)c(O)cc1O

Basic Information

ChEMBL ID CHEMBL5936425
Phase Preclinical
Structure Type MOL
InChI Key MMEYPKBRUOCRBV-VJIOARKRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.95
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O3S
MW 359.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.46

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
CHEMBL5768
IC50 9.0 7.515 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine