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Compound Detail

CHEMBL4574522

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O=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574522
Phase Preclinical
Structure Type MOL
InChI Key GGSDBULDBNBIDT-XFFZJAGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
2.49
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.51
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 C15H10N4O3S
MW 326.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.12 5.12 7500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 7500.0 nM 5.12 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine