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Compound Detail

CHEMBL4107666

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Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)s1

Basic Information

ChEMBL ID CHEMBL4107666
Phase Preclinical
Structure Type MOL
InChI Key DGYBKMNGWPNFNG-OCCSQVGLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.87
ALogP
8
HBA
1
HBD
81.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN5O2S
MW 401.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 9.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.75 9.75 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine