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

CHEMBL2393341

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
COc1ccc2c(NCCN)ccnc2c1

Basic Information

ChEMBL ID CHEMBL2393341
Phase Preclinical
Structure Type MOL
InChI Key UZYGRPKEIPMAGS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
1.61
ALogP
4
HBA
2
HBD
60.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 3.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fermitin family homolog 2
CHEMBL5465266
IC50 3.99 3.99 103000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fermitin family homolog 2 IC50 = 103000.0 nM 3.99 Inhibition of His6-tagged KIND2 (unknown origin) expressed in Escherichia coli B... 38039505

Literature References

PubMed DOI Target Context # Activities
38039505 10.1021/acs.jmedchem.3c00877 Fermitin family homolog 2 2
23669191 10.1016/j.bmc.2013.04.040 Unchecked 1
23669191 10.1016/j.bmc.2013.04.040 Ferriprotoporphyrin IX 1

Data from ChEMBL 36 via Core Engine