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Compound Detail

CHEMBL5882265

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CCCCc1nc(=O)c(S(=O)(=O)c2ccc(Br)cc2)c(O)n1[C@@H](CC)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5882265
Phase Preclinical
Structure Type MOL
InChI Key QBGYQHUCXLGUBE-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.4
MW (Da)
4.89
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25BrN2O4S
MW 505.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.10

Activity Summary

EC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apelin receptor
CHEMBL1628481
 EC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apelin receptor EC50 = 5.0 nM 8.3 Intracellular cAMP Accumulation Assay: HEK293 cells stably expressing human APJ ... -

Data from ChEMBL 36 via Core Engine