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Compound Detail

CHEMBL4448611

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CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C1=O

Basic Information

ChEMBL ID CHEMBL4448611
Phase Preclinical
Structure Type MOL
InChI Key JVSUIIAVILFZHX-ZROIWOOFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.49
ALogP
7
HBA
0
HBD
63.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O3S3
MW 402.52
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.07

Activity Summary

IC50 2 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.24 5.24 5720.0 1
NAMALVA
CHEMBL614049
IC50 4.51 4.51 31120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine