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

CHEMBL460738

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(C)Oc2ccncc2[C@@H](n2ccnc2-c2ccccc2)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL460738
Phase Preclinical
Structure Type MOL
InChI Key IGAICZSUCVETOD-SJORKVTESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.07
ALogP
5
HBA
1
HBD
60.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2
MW 321.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.27

Activity Summary

EC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 9
CHEMBL1971
EC50 4.89 4.89 12900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19101153 10.1016/j.bmc.2008.11.055 ATP-binding cassette sub-family C member 9 2

Data from ChEMBL 36 via Core Engine