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

CHEMBL3145283

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(-n2[nH]c(C)c(/C=N/c3ccc4[nH]c(O)nc4c3)c2=O)cc1C

Basic Information

ChEMBL ID CHEMBL3145283
Phase Preclinical
Structure Type MOL
InChI Key DKFACVHVJYFJLK-UFFVCSGVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.42
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.49
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 C20H19N5O2
MW 361.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.66 4.555 22000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine