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Compound Detail

CHEMBL3665536

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CN1CCC(COc2c(-c3cccs3)c(=O)[nH]c3ccc(Br)cc23)CC1

Basic Information

ChEMBL ID CHEMBL3665536
Phase Preclinical
Structure Type MOL
InChI Key UVFWDSHZWLMMIC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
4.74
ALogP
4
HBA
1
HBD
45.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21BrN2O2S
MW 433.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.04

Activity Summary

Ki 2 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
Ki 7.14 7.14 73.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine