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Compound Detail

CHEMBL64071

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CN(C)CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL64071
Phase Preclinical
Structure Type MOL
InChI Key UZONPZALOIAUHN-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.74
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O2
MW 345.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.77

Activity Summary

IC50 3 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lewis lung carcinoma cell line
CHEMBL614088
IC50 7.46 7.46 35.0 1
Jurkat
CHEMBL397
IC50 6.78 6.78 165.0 1
P388
CHEMBL389
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384245 10.1021/jm010041l Jurkat 3
11384245 10.1021/jm010041l P388 1
11384245 10.1021/jm010041l Lewis lung carcinoma cell line 1

Data from ChEMBL 36 via Core Engine