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Compound Detail

CHEMBL6055475

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N#CC1(NC(=O)c2cc(NC(=O)Cc3ccc(Cl)c(O)c3)ccn2)CCOCC1

Basic Information

ChEMBL ID CHEMBL6055475
Phase Preclinical
Structure Type MOL
InChI Key OCQIWHDKKINGOA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
2.42
ALogP
6
HBA
3
HBD
124.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN4O4
MW 414.85
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.49

Activity Summary

EC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
EC50 6.96 6.96 110.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine