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Compound Detail

CHEMBL4564939

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O=C1C/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1

Basic Information

ChEMBL ID CHEMBL4564939
Phase Preclinical
Structure Type MOL
InChI Key GZHPYOPPUFMDBZ-VQHVLOKHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.74
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O3S
MW 325.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.04 5.04 9020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 9020.0 nM 5.04 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine