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Compound Detail

CHEMBL4524189

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O=C1S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccccc1

Basic Information

ChEMBL ID CHEMBL4524189
Phase Preclinical
Structure Type MOL
InChI Key JIFWMHSQZZDNIB-ATVHPVEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
5.55
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13N3O3S2
MW 419.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 4.92 4.92 11900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 11900.0 nM 4.92 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine