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Compound Detail

CHEMBL282886

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Cc1ccc(-c2cc(NCCCN3CCN(C)CC3)c3ccccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL282886
Phase Preclinical
Structure Type MOL
InChI Key CZLLMCSBCXIMCX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
4.26
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N4
MW 374.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.38

Activity Summary

EC50 2 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.86 7.86 13.8 1
WEHI
CHEMBL612804
EC50 7.86 7.86 13.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646034 10.1021/jm020374y NON-PROTEIN TARGET 1
17049254 10.1016/j.bmc.2006.09.059 WEHI 1

Data from ChEMBL 36 via Core Engine