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Compound Detail

CHEMBL6055505

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C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(F)c1

Basic Information

ChEMBL ID CHEMBL6055505
Phase Preclinical
Structure Type MOL
InChI Key AFSFONATFSENCF-RBZFPXEDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
1.63
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25FN4O3
MW 388.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.58 7.58 26.0 1
A disintegrin and metalloproteinase with thrombospondin motifs 5
CHEMBL2285
IC50 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine