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Compound Detail

CHEMBL1991200

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COC(=O)CCc1cc(OC)c2c(c1)C(C(=O)OC)C(c1ccc(OC)c(OC)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1991200
Phase Preclinical
Structure Type MOL
InChI Key VYPDDYLRLTWJLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
3.21
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O8
MW 430.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.86

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
 IC50 5.94 5.94 1140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 1140.0 nM 5.94 Inhibition of human PDE4D catalytic domain (T86 to S413 residues) expressed in E... 38489246

Literature References

PubMed DOI Target Context # Activities
38489246 10.1021/acs.jmedchem.3c02424 3',5'-cyclic-AMP phosphodiesterase 4D 3

Data from ChEMBL 36 via Core Engine