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Compound Detail

CHEMBL3354286

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COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCC2CN(C)CCO2)cc1Cl

Basic Information

ChEMBL ID CHEMBL3354286
Phase Preclinical
Structure Type MOL
InChI Key CFQCGXUAGOJKPS-ZENAZSQFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

505.0
MW (Da)
1.77
ALogP
9
HBA
3
HBD
112.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33ClN6O4
MW 505.02
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL2304402
IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25455484 10.1016/j.bmcl.2014.10.008 cGMP-specific 3',5'-cyclic phosphodiesterase 1
25455484 10.1016/j.bmcl.2014.10.008 Unchecked 1
25455484 10.1016/j.bmcl.2014.10.008 Corpus cavernosum 1

Data from ChEMBL 36 via Core Engine