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Compound Detail

CHEMBL4584406

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CCOP(=O)(OCC)C1(c2ccc(OC)cc2)N=CC2C(=O)N(c3ccccc3)C(=O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4584406
Phase Preclinical
Structure Type MOL
InChI Key SDPPTODDMGKLES-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
4.00
ALogP
7
HBA
0
HBD
94.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N2O6P
MW 456.44
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.28

Activity Summary

Ki 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine