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Compound Detail

CHEMBL5742935

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C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4nc5cc(F)cc(F)c5n4)CC[C@@H]32)C1

Basic Information

ChEMBL ID CHEMBL5742935
Phase Preclinical
Structure Type MOL
InChI Key JCHYFJVRUMBRJB-PPJITOFRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
5.69
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37F2N3O2
MW 485.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.74

Activity Summary

IC50 2 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid type B receptor subunit 1
CHEMBL2753
IC50 7.52 7.52 30.0 1
Unchecked
CHEMBL612545
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine