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Compound Detail

CHEMBL3197153

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C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc2c(c1)Nc1ccccc1S2

Basic Information

ChEMBL ID CHEMBL3197153
Phase Preclinical
Structure Type MOL
InChI Key JZGOBJGQFXAMSR-YDZHTSKRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
5.43
ALogP
5
HBA
3
HBD
73.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O2S
MW 375.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 6.37 6.37 431.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine