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Compound Detail

CHEMBL430884

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CC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430884
Phase Preclinical
Structure Type MOL
InChI Key IKPUIEPKAQVINR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.58
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.47
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 C22H19N3O2
MW 357.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.69

Activity Summary

IC50 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 7.75 7.75 18.0 1
L1210
CHEMBL386
 IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 18.0 nM 7.75 In vitro cytotoxicity against human leukemic HL-60 cell line. 7650675
L1210 IC50 = 28.0 nM 7.55 The compound was tested for the cytotoxicity against L1210 cell lines 7650675

Literature References

PubMed DOI Target Context # Activities
7650675 10.1021/jm00017a006 HL-60 1
7650675 10.1021/jm00017a006 L1210 1

Data from ChEMBL 36 via Core Engine