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Compound Detail

CHEMBL3686937

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Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F

Basic Information

ChEMBL ID CHEMBL3686937
Phase Preclinical
Structure Type MOL
InChI Key AKXGDFXIXFLHPW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.57
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F2N4
MW 374.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine