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Compound Detail

CHEMBL1915749

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Cc1cnc(COc2ccc(-c3nn(CC[18F])cc3-c3ccncc3)cc2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915749
Phase Preclinical
Structure Type MOL
InChI Key OWEZURWNYQWWNB-FNNGWQQSSA-N
Parent Compound CHEMBL1915725
Active Moiety CHEMBL1915725
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
12
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
5.17
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23FN4O
MW 401.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.23

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
CHEMBL4409
 IC50 8.7 8.7 2.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.3117 hr Homo sapiens
T1/2 0.5317 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A IC50 = 2.0 nM 8.7 Inhibition of PDE10A (unknown origin) 34042442

Literature References

PubMed DOI Target Context # Activities
21777010 10.1021/jm200536d Cerebellum 5
21777010 10.1021/jm200536d Cerebrum 4
21777010 10.1021/jm200536d Nucleic Acid 4
21777010 10.1021/jm200536d Hippocampus 4
21777010 10.1021/jm200536d Cortex 4
21777010 10.1021/jm200536d Striatum 3
21777010 10.1021/jm200536d Blood 3
33581555 10.1016/j.ejmech.2021.113155 ADMET 3
24721831 10.1016/j.bmc.2014.03.028 Plasma 2
21777010 10.1021/jm200536d Brain 1
34042442 10.1021/acs.jmedchem.1c00115 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1
34042442 10.1021/acs.jmedchem.1c00115 ADMET 1

Data from ChEMBL 36 via Core Engine