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Compound Detail

CHEMBL105666

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

Basic Information

ChEMBL ID CHEMBL105666
Phase Preclinical
Structure Type MOL
InChI Key UJMUGBLBCMPHMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.17
ALogP
4
HBA
2
HBD
95.3
PSA (Ų)
0.77
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 C19H25N3O4
MW 359.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 5.94 5.94 1150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 1150.0 nM 5.94 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