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Compound Detail

CHEMBL1765676

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Cc1c(C(=O)NC2(C#N)CCCCC2)nn(-c2ccccc2Br)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL1765676
Phase Preclinical
Structure Type MOL
InChI Key VZLUFDGAEWMBID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

463.4
MW (Da)
5.57
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23BrN4O
MW 463.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 7.12 7.12 75.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 75.2 nM 7.12 Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes 21428406

Literature References

PubMed DOI Target Context # Activities
21428406 10.1021/jm2000536 Unchecked 1
21428406 10.1021/jm2000536 Translocator protein 1
21428406 10.1021/jm2000536 Cannabinoid receptor 1 1
21428406 10.1021/jm2000536 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine