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

CHEMBL4531381

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
CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cccc4ccccc34)C(=O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531381
Phase Preclinical
Structure Type MOL
InChI Key JOYXNXRIHORZKV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.15
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N2O5P
MW 476.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
32150414 10.1021/acs.jmedchem.9b02080 Alpha-2A adrenergic receptor 1
32150414 10.1021/acs.jmedchem.9b02080 Unchecked 1

Data from ChEMBL 36 via Core Engine