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Compound Detail

CHEMBL106801

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Oc1ccc2c(c1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21

Basic Information

ChEMBL ID CHEMBL106801
Phase Preclinical
Structure Type MOL
InChI Key MUAVMRKFQDKLEB-RHSMWYFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.35
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO3
MW 283.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.45

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 5
CHEMBL2880
EC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7636869 10.1021/jm00016a009 Adenylate cyclase type 5 2
7636869 10.1021/jm00016a009 D(1A) dopamine receptor 1
7636869 10.1021/jm00016a009 D(2) dopamine receptor 1
7636869 10.1021/jm00016a009 Dopamine receptors; D1 & D2 1

Data from ChEMBL 36 via Core Engine