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Compound Detail

CHEMBL107075

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C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

Basic Information

ChEMBL ID CHEMBL107075
Phase Preclinical
Structure Type MOL
InChI Key GFJNMDSESLEGMQ-IFXJQAMLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
3.45
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.78
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 C20H24ClNO3
MW 361.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.03

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 8.7 8.7 2.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
IC50 5.83 5.83 1480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7636876 10.1021/jm00016a017 Glutamate NMDA receptor 1
7636876 10.1021/jm00016a017 Adrenergic receptor alpha-1 1
7636876 10.1021/jm00016a017 Unchecked 1

Data from ChEMBL 36 via Core Engine