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Compound Detail

CHEMBL5421728

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O=C(c1cccnc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1

Basic Information

ChEMBL ID CHEMBL5421728
Phase Preclinical
Structure Type MOL
InChI Key JLFCQSOHRCCHMW-MRXNPFEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
1.66
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2
MW 307.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.06

Activity Summary

EC50 2 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.8 4.73 16000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37970586 10.1021/acsmedchemlett.3c00350 Unchecked 3
37970586 10.1021/acsmedchemlett.3c00350 Echinococcus multilocularis 3
37970586 10.1021/acsmedchemlett.3c00350 Schistosoma mansoni 2
37970586 10.1021/acsmedchemlett.3c00350 Rodentolepis nana 1

Data from ChEMBL 36 via Core Engine