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Compound Detail

CHEMBL3967410

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COc1ccc(Cc2nc(C)nn2-c2cc(C#Cc3ccc4ncccc4n3)nc(C)n2)cc1OC

Basic Information

ChEMBL ID CHEMBL3967410
Phase Preclinical
Structure Type MOL
InChI Key DXXDDJJUYHABTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.5
MW (Da)
3.63
ALogP
9
HBA
0
HBD
100.7
PSA (Ų)
0.35
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 C27H23N7O2
MW 477.53
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 9.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.09 9.09 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine