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Compound Detail

CHEMBL5959297

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COc1ccc(CCN2CCC(O)(c3cccc(C(N)=O)c3)C(CN(C)C)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5959297
Phase Preclinical
Structure Type MOL
InChI Key QUKOMMFQDDJVSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
2.11
ALogP
5
HBA
2
HBD
79.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N3O3
MW 411.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.38

Activity Summary

EC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
 EC50 6.33 6.33 467.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor EC50 = 467.0 nM 6.33 G-Protein Assay: G-protein signaling was measured via second messenger cAMP modu... -

Data from ChEMBL 36 via Core Engine