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Compound Detail

CHEMBL4571287

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CC(C)NCc1ccc(Sc2nc3ccccc3[nH]2)o1

Basic Information

ChEMBL ID CHEMBL4571287
Phase Preclinical
Structure Type MOL
InChI Key SZTFQMNAYLWKJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
3.81
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3OS
MW 287.39
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 4.24 4.24 57470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 57470.0 nM 4.24 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine