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Compound Detail

CHEMBL124792

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Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124792
Phase Preclinical
Structure Type MOL
InChI Key NPIFCPFAIPPYAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.82
ALogP
6
HBA
2
HBD
69.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O2
MW 350.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 230.0 nM 6.64 In vitro inhibitory activity against murine L1210 leukemia 1732555

Literature References

PubMed DOI Target Context # Activities
1732555 10.1021/jm00080a026 L1210 2
1732555 10.1021/jm00080a026 Mus musculus 2

Data from ChEMBL 36 via Core Engine