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

CHEMBL3608463

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
O=C1c2cc(-c3ccnc(NC4CC5(COC5)C4)n3)cn2CCCN1[C@H](CO)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3608463
Phase Preclinical
Structure Type MOL
InChI Key OWPUQESWKHKBDC-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
3.12
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O3
MW 459.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 1
CHEMBL4040
 IC50 10.4 10.4 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 1 IC50 = 0.04 nM 10.4 Inhibition of ERK2 (unknown origin) 26259804

Literature References

PubMed DOI Target Context # Activities
26259804 10.1016/j.bmcl.2015.07.091 ADMET 2
26259804 10.1016/j.bmcl.2015.07.091 Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine