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Compound Detail

CHEMBL3660633

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CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(F)cn3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL3660633
Phase Preclinical
Structure Type MOL
InChI Key KTHRVPDOVPWUMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
4.88
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.65
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 C23H23FN4O2
MW 406.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine