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Compound Detail

CHEMBL65896

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COc1cccc2c1CC[C@@H](NCc1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL65896
Phase Preclinical
Structure Type MOL
InChI Key OZFLGQHJVWSALN-MRXNPFEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.34
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.92
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 C18H21NO
MW 267.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.39

Activity Summary

Ki 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
Ki 6.0 5.94 1010.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10465538 10.1016/s0960-894x(99)00345-5 D(2) dopamine receptor 10

Data from ChEMBL 36 via Core Engine