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Compound Detail

CHEMBL3890395

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Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(OCCF)n2)n1

Basic Information

ChEMBL ID CHEMBL3890395
Phase Preclinical
Structure Type MOL
InChI Key CXJDZIQSRMFJCQ-GJZGRUSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.18
ALogP
8
HBA
0
HBD
83.5
PSA (Ų)
0.49
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 C21H22FN7O
MW 407.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine