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Compound Detail

CHEMBL3911371

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O=C1[C@H](N2CC[C@@H](c3ccc(O)cc3)[C@H](F)C2)CCN1Cc1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL3911371
Phase Preclinical
Structure Type MOL
InChI Key XFXAVVJYLLLZPG-PWRODBHTSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
3.46
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F2N2O2
MW 386.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.41

Activity Summary

Ki 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 7.96 7.96 11.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29795762 10.1021/acsmedchemlett.8b00080 Voltage-gated inwardly rectifying potassium channel KCNH2 1
29795762 10.1021/acsmedchemlett.8b00080 Mus musculus 1
29795762 10.1021/acsmedchemlett.8b00080 Glutamate receptor ionotropic, NMDA 2B 1
29795762 10.1021/acsmedchemlett.8b00080 ADMET 1

Data from ChEMBL 36 via Core Engine