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

CHEMBL4571918

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
CC1(Nc2nc(-c3ccnc4[nH]ccc34)nc3cnccc23)CC1

Basic Information

ChEMBL ID CHEMBL4571918
Phase Preclinical
Structure Type MOL
InChI Key SKCVLFAHPHRYTM-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6
MW 316.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

IC50 3 meas. best 5.6
EC50 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS
CHEMBL4523992
EC50 5.97 5.97 1060.0 1
Serine/threonine-protein kinase LATS
CHEMBL4523992
IC50 5.6 5.6 2530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine