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Compound Detail

CHEMBL354174

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Cc1ccc2nc3cccc(C(=O)NCCN(C)C)c3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354174
Phase Preclinical
Structure Type MOL
InChI Key GVYNEQCOZRYYSD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.38
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 C18H20N4O
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 630.0 nM 6.2 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