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Compound Detail

CHEMBL5759738

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CN(C)c1ccc(C#Cc2cc3ccc(-c4ccc(F)nc4)nc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL5759738
Phase Preclinical
Structure Type MOL
InChI Key OEJPKPVOWLAKLD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.23
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN4
MW 356.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

Kd 2 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-synuclein
CHEMBL6152
Kd 8.9 8.9 1.3 1
Unchecked
CHEMBL612545
Kd 8.51 8.51 3.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine