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

CHEMBL6042579

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=C1NCCCCn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2

Basic Information

ChEMBL ID CHEMBL6042579
Phase Preclinical
Structure Type MOL
InChI Key NLZGFMIWJQDZHR-MRXNPFEDSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
1.90
ALogP
7
HBA
1
HBD
84.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN6O2
MW 396.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

IC50 4 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.26 7.26 55.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine