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Compound Detail

CHEMBL3660585

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N#Cc1ccc2c(-c3cccnc3Oc3ccc(Nc4ccccn4)cc3)cccc2c1

Basic Information

ChEMBL ID CHEMBL3660585
Phase Preclinical
Structure Type MOL
InChI Key XEBZDNUNOMTIBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
6.70
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18N4O
MW 414.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine