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Compound Detail

CHEMBL4461881

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CCN1CCN(Cc2ccc(Sc3nc4ccccc4[nH]3)o2)CC1

Basic Information

ChEMBL ID CHEMBL4461881
Phase Preclinical
Structure Type MOL
InChI Key YQILVKSAQIOGQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
3.44
ALogP
5
HBA
1
HBD
48.3
PSA (Ų)
0.77
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 C18H22N4OS
MW 342.47
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 4.99 4.99 10230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 10230.0 nM 4.99 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine