Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL434930

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CCCN1C(=O)c2c(c3c4ccc(O)cc4[nH]c3c3cc4ccccc4cc23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434930
Phase Preclinical
Structure Type MOL
InChI Key INPOEZURWJGGKK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.88
ALogP
4
HBA
2
HBD
76.6
PSA (Ų)
0.31
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 C27H23N3O3
MW 437.50
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.01

Activity Summary

IC50 3 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 6.47 6.47 340.0 1
DU-145
CHEMBL613508
 IC50 6.12 6.12 760.0 1
HT-29
CHEMBL384
 IC50 5.87 5.87 1350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 340.0 nM 6.47 In vitro antiproliferative activity against murine leukemia L1210 cells 15743184
DU-145 IC50 = 760.0 nM 6.12 In vitro antiproliferative activity against human prostate cancer DU145 cells 15743184
HT-29 IC50 = 1350.0 nM 5.87 In vitro antiproliferative activity against human colon carcinoma HT-29 cells 15743184

Literature References

PubMed DOI Target Context # Activities
15743184 10.1021/jm049213f L1210 1
15743184 10.1021/jm049213f DU-145 1
15743184 10.1021/jm049213f HT-29 1

Data from ChEMBL 36 via Core Engine