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Compound Detail

CHEMBL4084687

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O=C1c2ccccc2NC(c2ccccc2F)N1CCCCN1C(=O)c2ccccc2NC1c1ccccc1F

Basic Information

ChEMBL ID CHEMBL4084687
Phase Preclinical
Structure Type MOL
InChI Key RDLPIKGZXKXHSC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.6
MW (Da)
6.58
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28F2N4O2
MW 538.60
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.63

Activity Summary

Kd 1 meas. best 7.12

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 7.12 7.12 76.0 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 1
28929751 10.1021/acs.jmedchem.7b01243 No relevant target 1

Data from ChEMBL 36 via Core Engine