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Compound Detail

CHEMBL5886469

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Oc1ccc(/C=N/n2c(C3CC3)cs/c2=N\C2CCCC2)c(O)c1O

Basic Information

ChEMBL ID CHEMBL5886469
Phase Preclinical
Structure Type MOL
InChI Key CVONJEGVLJAUIO-UTYDHLRSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.27
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
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 -0.50

Activity Summary

IC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
CHEMBL5768
IC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine