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Compound Detail

CHEMBL6007763

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Cc1nc2ccc(CN3CCOCC3)cc2n2c(-c3cncc(OCC4CC4)c3)nnc12

Basic Information

ChEMBL ID CHEMBL6007763
Phase Preclinical
Structure Type MOL
InChI Key OWGBOJPEZFHUMM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.27
ALogP
8
HBA
0
HBD
77.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O2
MW 430.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.75

Activity Summary

IC50 2 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.66 7.66 22.0 1
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine