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Compound Detail

CHEMBL341092

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Oc1c2c(nc3ccccc13)C(c1ccc3c(c1)OCO3)N(c1ncccn1)C2

Basic Information

ChEMBL ID CHEMBL341092
Phase Preclinical
Structure Type MOL
InChI Key OFCFRIBTCIXCPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.57
ALogP
7
HBA
1
HBD
80.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N4O3
MW 384.39
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.33

Activity Summary

Ki 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
Ki 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12213052 10.1021/jm025545d cGMP-specific 3',5'-cyclic phosphodiesterase 1
12213052 10.1021/jm025545d Phosphodiesterase, PDE1/PDE5 1
12213052 10.1021/jm025545d Phosphodiesterase 2 and 5 (PDE2 and PDE5) 1
12213052 10.1021/jm025545d Phosphodiesterase 3 and 5 (PDE3 and PDE5) 1
12213052 10.1021/jm025545d Phosphodiesterase 4 and 5 (PDE4 and PDE5) 1
12213052 10.1021/jm025545d Unchecked 1

Data from ChEMBL 36 via Core Engine