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Compound Detail

CHEMBL17909

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Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O

Basic Information

ChEMBL ID CHEMBL17909
Phase Preclinical
Structure Type MOL
InChI Key LBWGGMZSOYQNAK-CTNGQTDRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.14
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO3
MW 339.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.78

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.89 6.89 130.0 1
Rattus norvegicus
CHEMBL376
IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9544217 10.1021/jm9707986 Unchecked 1
9544217 10.1021/jm9707986 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine