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Compound Detail

CHEMBL3660602

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c1ccc(Nc2ccc(Oc3nccnc3-c3ccncc3)cc2)nc1

Basic Information

ChEMBL ID CHEMBL3660602
Phase Preclinical
Structure Type MOL
InChI Key RFGOJFDMXXDVHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.47
ALogP
6
HBA
1
HBD
72.8
PSA (Ų)
0.58
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 C20H15N5O
MW 341.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.21

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