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Compound Detail

CHEMBL5739600

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CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO

Basic Information

ChEMBL ID CHEMBL5739600
Phase Preclinical
Structure Type MOL
InChI Key HPZJMUBDEAMBFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
-0.94
ALogP
7
HBA
6
HBD
174.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H35N5O6
MW 513.60
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.03

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-arrestin-1
CHEMBL1795088
EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-arrestin-1 EC50 = 60.0 nM 7.22 beta-Arrestin Assay: The DISCOVERX PATHHUNTER® β-Arrestin assay is used to measu... -

Data from ChEMBL 36 via Core Engine