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Compound Detail

CHEMBL607437

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CCCN1CCO[C@@H]2c3cccc(O)c3CC[C@H]21

Basic Information

ChEMBL ID CHEMBL607437
Phase Preclinical
Structure Type MOL
InChI Key NEZSLNYDFZRLJR-UKRRQHHQSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.49
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21NO2
MW 247.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.48

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleic Acid
CHEMBL345
IC50 7.62 7.62 24.0 1
D(2) dopamine receptor
CHEMBL339
IC50 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2903247 10.1021/jm00119a020 Rattus norvegicus 3
2903247 10.1021/jm00119a020 No relevant target 3
2903247 10.1021/jm00119a020 D(2) dopamine receptor 1
2903247 10.1021/jm00119a020 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine