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Compound Detail

CHEMBL344366

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O=C(c1ccccc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344366
Phase Preclinical
Structure Type MOL
InChI Key AFXANIIGPDJVPQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
71.9
PSA (Ų)
0.53
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 C25H18N2O4
MW 410.43
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.41

Activity Summary

Ki 2 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 Ki 8.6 8.6 2.5 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase Ki = 2.49 nM 8.6 Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated 12540243
cGMP-specific 3',5'-cyclic phosphodiesterase Ki = 2.49 nM 8.6 Inhibitory activity against human Phosphodiesterase 5 14736245

Literature References

PubMed DOI Target Context # Activities
12540243 10.1021/jm0202573 cGMP-specific 3',5'-cyclic phosphodiesterase 1
14736245 10.1021/jm020521s cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine