Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL297479

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL297479
Phase Preclinical
Structure Type MOL
InChI Key FICYCFGUUJWZSL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
5.42
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3
MW 355.49
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

EC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.96 7.96 11.0 1
WEHI
CHEMBL612804
EC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10406648 10.1016/s0960-894x(99)00291-7 NON-PROTEIN TARGET 1
17049254 10.1016/j.bmc.2006.09.059 WEHI 1

Data from ChEMBL 36 via Core Engine