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Compound Detail

CHEMBL3660636

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CS(=O)(=O)N1CCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL3660636
Phase Preclinical
Structure Type MOL
InChI Key IWZHGAPOISFNPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
97.3
PSA (Ų)
0.64
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 C21H23N5O3S
MW 425.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine