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Compound Detail

CHEMBL369477

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Cc1cc2c3c(cc(Cl)c2[nH]1)CCN(C)[C@H]1CCc2ccccc2[C@H]31
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369477
Phase Preclinical
Structure Type MOL
InChI Key MJXFQOBCXVELQL-FPOVZHCZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.9
MW (Da)
5.06
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2
MW 350.89
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.05

Activity Summary

Ki 2 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.61 7.12 24.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 24.7 nM 7.61 In vitro binding affinity for Dopamine receptor D1 15689153
Unchecked Ki = 232.0 nM 6.63 In vitro binding affinity for Dopamine receptor D2 15689153

Literature References

PubMed DOI Target Context # Activities
15689153 10.1021/jm030614p Unchecked 3

Data from ChEMBL 36 via Core Engine