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Compound Detail

CHEMBL372955

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CCC[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(Cc3ccccc3)n(Cc3ccccc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372955
Phase Preclinical
Structure Type MOL
InChI Key CVIYFZZSMGEYCI-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
4.34
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.56
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 C26H29N5O
MW 427.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 35.0 nM 7.46 Inhibition of human phosphodiesterase 5 15837326

Literature References

PubMed DOI Target Context # Activities
15837326 10.1016/j.bmcl.2005.02.083 cGMP-specific 3',5'-cyclic phosphodiesterase 1
15837326 10.1016/j.bmcl.2005.02.083 Phosphodiesterase, PDE1/PDE5 1
15837326 10.1016/j.bmcl.2005.02.083 Phosphodiesterases; PDE5 & PDE6 1

Data from ChEMBL 36 via Core Engine