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Compound Detail

CHEMBL6020747

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C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6020747
Phase Preclinical
Structure Type MOL
InChI Key AGBLSBBJAPCHQE-WMLDXEAASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.27
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN3O2
MW 379.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.88

Activity Summary

EC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
 EC50 6.32 6.32 484.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor EC50 = 484.0 nM 6.32 Human D1 Receptor PAM Assay: The PAM activity of the compounds of the present in... -

Data from ChEMBL 36 via Core Engine