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Compound Detail

CHEMBL4437143

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O=C1NC(=O)/C(=C/c2ccc(Sc3nc4cccnc4[nH]3)o2)S1

Basic Information

ChEMBL ID CHEMBL4437143
Phase Preclinical
Structure Type MOL
InChI Key YYCCAZLENMIDJZ-TWGQIWQCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.03
ALogP
7
HBA
2
HBD
100.9
PSA (Ų)
0.70
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 C14H8N4O3S2
MW 344.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.25 5.25 5600.0 1
Lymphoma cell line
CHEMBL614114
IC50 4.48 4.48 33130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine