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Compound Detail

CHEMBL69271

NAXAGOLIDE
🧪 Phase II
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🧪 Phase II
CCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21

Basic Information

ChEMBL ID CHEMBL69271
Name NAXAGOLIDE
Phase Phase II
Structure Type MOL
InChI Key JCSREICEMHWFAY-HUUCEWRRSA-N

Known Names

(r,r)-phno Dopazinol Naxagolida Naxagolide Nazagolide
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
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
Chirality Single Enantiomer
USAN Year 1989

Extended Properties

Molecular Formula C15H21NO2
MW 247.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.59

Activity Summary

Ki 4 meas. best 9.7
IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(3) dopamine receptor
CHEMBL234
Ki 9.7 9.69 0.2 2
D(2) dopamine receptor
CHEMBL339
IC50 8.52 8.52 3.0 1
D(2) dopamine receptor
CHEMBL217
Ki 8.21 8.205 6.2 2
Nucleic Acid
CHEMBL345
IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
15943487 10.1021/jm050155n Rattus norvegicus 8
15943487 10.1021/jm050155n Sodium-dependent dopamine transporter 5
15943487 10.1021/jm050155n Dopamine receptor D2 and D3 4
2903247 10.1021/jm00119a020 Rattus norvegicus 3
2903247 10.1021/jm00119a020 No relevant target 3
10956195 10.1021/jm0000113 D(2) dopamine receptor 2
15943487 10.1021/jm050155n Unchecked 2
15943487 10.1021/jm050155n Alpha-2A adrenergic receptor 2
15943487 10.1021/jm050155n D(1A) dopamine receptor 1
19635669 10.1016/j.bmcl.2009.07.055 D(3) dopamine receptor 1
19635669 10.1016/j.bmcl.2009.07.055 D(2) dopamine receptor 1
15943487 10.1021/jm050155n Tyrosine 3-monooxygenase 1
15943487 10.1021/jm050155n Sigma non-opioid intracellular receptor 1 1
15943487 10.1021/jm050155n Adrenergic receptor alpha-2 1
2903247 10.1021/jm00119a020 D(2) dopamine receptor 1
15943487 10.1021/jm050155n 5-hydroxytryptamine receptor 1A 1
10956195 10.1021/jm0000113 D(4) dopamine receptor 1
10956195 10.1021/jm0000113 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine