Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL8410

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NC[C@@H]3CCCO3)cnc21

Basic Information

ChEMBL ID CHEMBL8410
Phase Preclinical
Structure Type MOL
InChI Key IIJWWYFKEQWSRO-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.9
MW (Da)
3.63
ALogP
7
HBA
2
HBD
90.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN5O3
MW 443.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 1.8 nM 8.74 Inhibition of PDE5 of human platelets 11297448

Literature References

PubMed DOI Target Context # Activities
11297448 10.1021/jm0155042 Unchecked 4
11297448 10.1021/jm0155042 cGMP-specific 3',5'-cyclic phosphodiesterase 1
11297448 10.1021/jm0155042 Phosphodiesterase 3 and 5 (PDE3 and PDE5) 1

Data from ChEMBL 36 via Core Engine