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Compound Detail

CHEMBL320428

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Oc1cc2c(cc1O)[C@H]1c3cc(-c4ccccc4)ccc3CN[C@@H]1CC2

Basic Information

ChEMBL ID CHEMBL320428
Phase Preclinical
Structure Type MOL
InChI Key RMDMGQSKVJJQEX-NFBKMPQASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.31
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21NO2
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.82

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 5
CHEMBL2880
EC50 8.0 8.0 10.0 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