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

CHEMBL11010

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=C(O)COc1cccc2c1CCC(CC1C=NC(C(c3ccccc3)c3ccccc3)=N1)C2

Basic Information

ChEMBL ID CHEMBL11010
Phase Preclinical
Structure Type MOL
InChI Key GFVOZAMRAFUEHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
5.33
ALogP
4
HBA
1
HBD
71.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O3
MW 452.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 12000.0 nM 4.92 Compound was tested for its inhibitory activity against 4 uM ADP-induced platele... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00170-X Homo sapiens 1

Data from ChEMBL 36 via Core Engine