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Compound Detail

CHEMBL1501185

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CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3nccs3)nc2N)cc1

Basic Information

ChEMBL ID CHEMBL1501185
Phase Preclinical
Structure Type MOL
InChI Key OSNMDXUIZDERCQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
3.23
ALogP
9
HBA
3
HBD
113.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N6O2S3
MW 434.57
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.51

Activity Summary

EC50 3 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.63 6.2533 236.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine