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Compound Detail

CHEMBL278530

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CN(C)CCCNc1cc(-c2ccc(CN3CCN(C)CC3)cc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL278530
Phase Preclinical
Structure Type MOL
InChI Key JKXOAMHPRJMDNP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.01
ALogP
5
HBA
1
HBD
34.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N5
MW 417.60
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.37

Activity Summary

EC50 2 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 8.04 8.04 9.1 1
WEHI
CHEMBL612804
EC50 8.04 8.04 9.1 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