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

CHEMBL4087649

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
Cc1ccc([C@H]2C(=O)N([C@H]3CC[C@H](N)CC3)[C@H]2c2ccc(C#N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087649
Phase Preclinical
Structure Type MOL
InChI Key TTXJPBZNVLUHPV-YSFYHYPLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.80
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O
MW 359.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
28927796 10.1016/j.bmcl.2017.08.052 Lysine-specific histone demethylase 1A 2

Data from ChEMBL 36 via Core Engine