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

CHEMBL1893675

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
COc1ccccc1-c1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)c4ccco4)CC3)n2n1

Basic Information

ChEMBL ID CHEMBL1893675
Phase Preclinical
Structure Type MOL
InChI Key KCEINUXVJMDYCM-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
4.63
ALogP
7
HBA
0
HBD
76.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N5O3
MW 479.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.61

Activity Summary

IC50 5 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tegument protein VP16
CHEMBL4218
IC50 5.39 5.19 4102.0 2
COUP transcription factor 2
CHEMBL1961790
IC50 5.38 5.38 4166.0 1
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.25 5.25 5661.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 4.95 4.95 11111.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine