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Compound Detail

CHEMBL5572058

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Cc1ccc(-c2ccc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL5572058
Phase Preclinical
Structure Type MOL
InChI Key SOSFFBDNPUUZQC-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.38
ALogP
3
HBA
3
HBD
87.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O3
MW 363.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A disintegrin and metalloproteinase with thrombospondin motifs 7
CHEMBL5724789
IC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38348661 10.1021/acs.jmedchem.3c02036 A disintegrin and metalloproteinase with thrombospondin motifs 7 1
38348661 10.1021/acs.jmedchem.3c02036 Unchecked 1

Data from ChEMBL 36 via Core Engine