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Compound Detail

CHEMBL2359025

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C#CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1.Cl

Basic Information

ChEMBL ID CHEMBL2359025
Phase Preclinical
Structure Type MOL
InChI Key RSBGQTFIHFGTSY-UHFFFAOYSA-N
Parent Compound CHEMBL1872101
Active Moiety CHEMBL1872101
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.68
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClNO3
MW 373.88
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.54

Activity Summary

IC50 2 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.03 5.02 9257.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine