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Compound Detail

CHEMBL168953

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CN(C)CCNC(=O)c1cccc2nc3cccc(Cl)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168953
Phase Preclinical
Structure Type MOL
InChI Key VMELYRYRLGYPHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
2.73
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.75
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 C17H17ClN4O
MW 328.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 11.0 nM 7.96 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