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Compound Detail

CHEMBL5818335

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C#CC1(NC(=O)c2cc(NC(=O)Cc3cc(Cl)ccc3O)ccn2)CCCC1

Basic Information

ChEMBL ID CHEMBL5818335
Phase Preclinical
Structure Type MOL
InChI Key AMNQVNDYEXJAGW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
3.30
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN3O3
MW 397.86
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.16

Activity Summary

EC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
EC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine