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Compound Detail

CHEMBL3134062

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CC(=O)NCCCOc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134062
Phase Preclinical
Structure Type MOL
InChI Key LKBUQFJMIZRYTF-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.05
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O3
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.65

Activity Summary

EC50 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 EC50 6.88 6.88 132.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor EC50 = 132.0 nM 6.88 Agonist activity at human recombinant dopamine D2L receptor expressed in CHOFlpI... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00154G D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine