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Compound Detail

CHEMBL4435325

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O=C1CSC(=O)N1Cc1ccc(Sc2nc3ccccc3[nH]2)o1

Basic Information

ChEMBL ID CHEMBL4435325
Phase Preclinical
Structure Type MOL
InChI Key QXLZMRCNTHGEAR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.50
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.78
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 C15H11N3O3S2
MW 345.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.93

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 4.52 4.52 29970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 29970.0 nM 4.52 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine