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Compound Detail

CHEMBL3660593

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COc1ncccc1-c1nccnc1Oc1ccc(Nc2ccccn2)c(F)c1

Basic Information

ChEMBL ID CHEMBL3660593
Phase Preclinical
Structure Type MOL
InChI Key FLGSYQDCLVWROB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
4.62
ALogP
7
HBA
1
HBD
82.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FN5O2
MW 389.39
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine