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Compound Detail

CHEMBL5832234

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CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(N3CCNCC3)cc2C1

Basic Information

ChEMBL ID CHEMBL5832234
Phase Preclinical
Structure Type MOL
InChI Key WZFJLBOJKYGFEF-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
5.13
ALogP
3
HBA
1
HBD
18.5
PSA (Ų)
0.73
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29Cl2N3
MW 418.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.96

Activity Summary

Ki 4 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma intracellular receptor 2
CHEMBL4105907
Ki 7.82 7.82 15.0 3
Unchecked
CHEMBL612545
Ki 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine