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Compound Detail

CHEMBL4083592

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O=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL4083592
Phase Preclinical
Structure Type MOL
InChI Key LBEUOFYUAJUPQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
5.80
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15NO
MW 321.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.73

Activity Summary

Kd 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
CHEMBL3860
Kd 6.64 6.64 227.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28929751 10.1021/acs.jmedchem.7b01243 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta 2
28929751 10.1021/acs.jmedchem.7b01243 No relevant target 1

Data from ChEMBL 36 via Core Engine