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Compound Detail

CHEMBL102852

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CN(C(=O)CCCOc1ccc2[nH]c(=O)oc(=O)c2c1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102852
Phase Preclinical
Structure Type MOL
InChI Key WRVZNNNWSUYZCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.43
ALogP
5
HBA
1
HBD
92.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O5
MW 360.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 4400.0 nM 5.36 In vitro inhibition of cyclic AMP phosphodiesterase from human platelets. 3027338

Literature References

PubMed DOI Target Context # Activities
3027338 10.1021/jm00385a011 Phosphodiesterase 3 1
3027338 10.1021/jm00385a011 Unchecked 1

Data from ChEMBL 36 via Core Engine