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Compound Detail

CHEMBL5925786

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C[C@H]1c2cccc(-c3cn[nH]c3)c2C[C@H](CO)N1C(=O)Cc1cc(F)ccc1F

Basic Information

ChEMBL ID CHEMBL5925786
Phase Preclinical
Structure Type MOL
InChI Key JTRGJNLZRCHRRK-SUMWQHHRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.40
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F2N3O2
MW 397.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

EC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
EC50 6.08 6.08 836.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor EC50 = 836.0 nM 6.08 Human D1 Receptor PAM Assay: The PAM activity of the compounds of the present in... -

Data from ChEMBL 36 via Core Engine