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Compound Detail

CHEMBL372934

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CCCN(CC1CC1)Cn1c(O)c(/N=N/C(=N)S)c2cc(C)c(Br)cc21

Basic Information

ChEMBL ID CHEMBL372934
Phase Preclinical
Structure Type MOL
InChI Key CZFRFXSGCVDTKB-QURGRASLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
5.45
ALogP
5
HBA
3
HBD
77.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24BrN5OS
MW 438.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.96

Activity Summary

EC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HFF
CHEMBL614071
EC50 6.22 5.72 600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15828843 10.1021/jm049147h HFF 6

Data from ChEMBL 36 via Core Engine