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Compound Detail

CHEMBL60808

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Oc1c(O)c(-c2ccccc2)c2c(c1Cl)CCNCC2

Basic Information

ChEMBL ID CHEMBL60808
Phase Preclinical
Structure Type MOL
InChI Key UTYGAAJMSHGRCT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.8
MW (Da)
3.11
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.71
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 C16H16ClNO2
MW 289.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.40

Activity Summary

Ki 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL265
Ki 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3761310 10.1021/jm00160a018 D(1A) dopamine receptor 1
3761310 10.1021/jm00160a018 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine