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Compound Detail

CHEMBL283562

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CCN1C(=O)c2[nH]c(Cc3ccccc3)nc2N2C[C@@H](Cc3ccccc3)N=C12

Basic Information

ChEMBL ID CHEMBL283562
Phase Preclinical
Structure Type MOL
InChI Key GJHFFXDICUJTII-GOSISDBHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.26
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O
MW 385.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.45

Activity Summary

IC50 2 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 8.35 8.35 4.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14980684 10.1016/j.bmcl.2003.12.027 cGMP-specific 3',5'-cyclic phosphodiesterase 1
14980684 10.1016/j.bmcl.2003.12.027 Phosphodiesterase, PDE1/PDE5 1
14980684 10.1016/j.bmcl.2003.12.027 Phosphodiesterases; PDE5 & PDE6 1
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