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Compound Detail

CHEMBL18609

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O=c1c(OCCO)c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(OCCO)c12

Basic Information

ChEMBL ID CHEMBL18609
Phase Preclinical
Structure Type MOL
InChI Key YRFYWFJCBDWATA-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

522.5
MW (Da)
0.32
ALogP
12
HBA
5
HBD
177.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O12
MW 522.50
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.43

Activity Summary

IC50 4 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.16 4.16 69000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 69000.0 nM 4.16 Inhibition of rat brain cytosolic cAMP phosphodiesterase 6292419

Literature References

PubMed DOI Target Context # Activities
6292419 10.1021/jm00352a019 Unchecked 4
6292419 10.1021/jm00352a019 Phosphodiesterase 1 1
6292419 10.1021/jm00352a019 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine