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

CHEMBL1214145

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
COc1cc2c(NC3CCN(C)CC3)nc(N3CCCN(C)CC3)nc2cc1OCC1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1214145
Phase Preclinical
Structure Type MOL
InChI Key MIILLJDRHFIRPF-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
2.66
ALogP
9
HBA
2
HBD
78.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N7O2
MW 497.69
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.03

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20614940 10.1021/jm100478y Histone-lysine N-methyltransferase EHMT2 2

Data from ChEMBL 36 via Core Engine