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Compound Detail

CHEMBL353628

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CN(C)CCNC(=O)c1cccc2nc3c(ccc4ccccc43)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353628
Phase Preclinical
Structure Type MOL
InChI Key TYTLWVIJHWWGIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.46
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 C21H20N4O
MW 344.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 310.0 nM 6.51 Nanomolar concentration required to reduce the growth of L1210 cells in culture ... 3572972

Literature References

PubMed DOI Target Context # Activities
3572972 10.1021/jm00388a017 Calf thymus DNA 2
3572972 10.1021/jm00388a017 P388 2
3572972 10.1021/jm00388a017 Lewis lung carcinoma cell line 2
3572972 10.1021/jm00388a017 L1210 1
3572972 10.1021/jm00388a017 No relevant target 1

Data from ChEMBL 36 via Core Engine