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Compound Detail

CHEMBL4518596

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c1ccc(NCc2ccc(Sc3nc4ccccc4[nH]3)o2)cc1

Basic Information

ChEMBL ID CHEMBL4518596
Phase Preclinical
Structure Type MOL
InChI Key FEUXPPDZIRWQTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
4.92
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.55
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 C18H15N3OS
MW 321.41
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.33 5.33 4660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 4660.0 nM 5.33 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine