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Compound Detail

CHEMBL3892294

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Cc1cnc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1

Basic Information

ChEMBL ID CHEMBL3892294
Phase Preclinical
Structure Type MOL
InChI Key ZCOFNMPESMAKIZ-GOEBONIOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.23
ALogP
9
HBA
1
HBD
86.9
PSA (Ų)
0.48
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 C22H24N6O2S
MW 436.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 9.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 9.93 9.93 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine