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Compound Detail

CHEMBL209498

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O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCN2CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL209498
Phase Preclinical
Structure Type MOL
InChI Key VDHJFMYZISLNOU-HMZBKAONSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.5
MW (Da)
6.37
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26F3N3O2
MW 493.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.55

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 Ki = 8.0 nM 8.1 Displacement of [125I]galanin from human galanin Gal3 receptor 16730981

Literature References

PubMed DOI Target Context # Activities
16730981 10.1016/j.bmcl.2006.05.025 No relevant target 1
16730981 10.1016/j.bmcl.2006.05.025 Galanin receptor type 3 1

Data from ChEMBL 36 via Core Engine