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Compound Detail

CHEMBL5574157

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Cc1nc(Cn2ncc(C(=O)NC[C@@]3(C4CC4)NC(=O)NC3=O)n2)cs1

Basic Information

ChEMBL ID CHEMBL5574157
Phase Preclinical
Structure Type MOL
InChI Key AFSMNPGTTHAVFU-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
-0.19
ALogP
8
HBA
3
HBD
130.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N7O3S
MW 375.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A disintegrin and metalloproteinase with thrombospondin motifs 7
CHEMBL5724789
IC50 6.03 6.03 930.0 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