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Compound Detail

CHEMBL1869639

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CCCc1nc2c(C)cc(Br)cn2c1Cc1ccsc1

Basic Information

ChEMBL ID CHEMBL1869639
Phase Preclinical
Structure Type MOL
InChI Key FEXALKNDXQXMPA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
5.01
ALogP
3
HBA
0
HBD
17.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17BrN2S
MW 349.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.83

Activity Summary

IC50 2 meas. best 4.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.45 4.415 35700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine