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Compound Detail

CHEMBL5996071

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Cc1ncc(-c2ccc(CO)nc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

Basic Information

ChEMBL ID CHEMBL5996071
Phase Preclinical
Structure Type MOL
InChI Key RXEUWUGUZWHFAY-QUCCMNQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.07
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O2
MW 398.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.23

Activity Summary

Ki 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
Ki 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine