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Compound Detail

CHEMBL5394888

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O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394888
Phase Preclinical
Structure Type MOL
InChI Key PCVOMFLDOWUNTE-FPYGCLRLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.3
MW (Da)
3.32
ALogP
3
HBA
1
HBD
69.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19BrN4O2
MW 439.31
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 183
CHEMBL3259470
 IC50 6.67 6.67 214.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G-protein coupled receptor 183 IC50 = 214.0 nM 6.67 Antagonist activity at human GPR183 expressed in CHO-K1 cells co-expressing Gqi5... 38047891

Literature References

PubMed DOI Target Context # Activities
38047891 10.1021/acs.jmedchem.3c01364 G-protein coupled receptor 183 1

Data from ChEMBL 36 via Core Engine