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Compound Detail

CHEMBL4566803

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O=C(Nc1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)o1

Basic Information

ChEMBL ID CHEMBL4566803
Phase Preclinical
Structure Type MOL
InChI Key SKYAZIXBICHPKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.56
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N3O2S
MW 335.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.48 5.48 3320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 3320.0 nM 5.48 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine