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Compound Detail

CHEMBL433183

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O=C(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433183
Phase Preclinical
Structure Type MOL
InChI Key AZQVUHNTWGVLBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.27
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O3
MW 445.52
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 0.7 nM 9.15 Inhibition of human platelet c-AMP phosphodiesterase PDE 3 1321911

Literature References

PubMed DOI Target Context # Activities
1321911 10.1021/jm00092a020 Oryctolagus cuniculus 3
1321911 10.1021/jm00092a020 Phosphodiesterase 3 1
1321911 10.1021/jm00092a020 No relevant target 1

Data from ChEMBL 36 via Core Engine