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Compound Detail

CHEMBL4543327

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CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc(N)cc4[nH]3)o2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4543327
Phase Preclinical
Structure Type MOL
InChI Key YFXDTGJKDPDLSB-ZSOIEALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.33
ALogP
7
HBA
2
HBD
105.2
PSA (Ų)
0.50
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 C18H16N4O3S2
MW 400.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.34 5.34 4560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 4560.0 nM 5.34 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine