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

CHEMBL3675795

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
COc1ccnc(-c2nc3ccc(CO)cc3[nH]2)c1

Basic Information

ChEMBL ID CHEMBL3675795
Phase Preclinical
Structure Type MOL
InChI Key JMTJITWUMFCOHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.13
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.75
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 C14H13N3O2
MW 255.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Core-binding factor subunit beta
CHEMBL1615386
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine