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Compound Detail

CHEMBL290677

AZONAFIDE
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CN(C)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290677
Name AZONAFIDE
Phase Preclinical
Structure Type MOL
InChI Key CWNBRNSIRVKSDC-UHFFFAOYSA-N
14
Targets
54
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.15
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O2
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.57

Activity Summary

IC50 54 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
COLO 480
CHEMBL614032
 IC50 8.52 8.52 3.0 1
LoVo
CHEMBL614721
 IC50 8.22 8.22 6.0 1
L1210
CHEMBL386
 IC50 8.15 8.051 7.0 10
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.15 7.33 7.2 3
HCT-15
CHEMBL612263
 IC50 8.1 8.1 8.0 1
A549
CHEMBL392
 IC50 8.0 8.0 10.0 3
Unchecked
CHEMBL612545
 IC50 8.0 7.5 10.0 3
WiDr
CHEMBL614647
 IC50 8.0 7.5725 10.0 8
MCF7
CHEMBL387
 IC50 7.75 7.5367 18.0 9
COLO 205
CHEMBL614561
 IC50 7.44 7.44 36.0 1
OVCAR-3
CHEMBL614213
 IC50 7.24 7.24 57.0 5
HT-29
CHEMBL384
 IC50 7.2 7.025 63.0 2
Tumor cell line
CHEMBL614310
 IC50 7.19 7.19 64.0 1
UACC-375
CHEMBL614127
 IC50 7.15 7.15 71.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
COLO 480 IC50 = 3.0 nM 8.52 Tested against human colon carcinoma COLO 480 cell line in vitro 8459403
LoVo IC50 = 6.0 nM 8.22 Tested against human colon carcinoma LoVo cell line in vitro 8459403
L1210 IC50 = 7.0 nM 8.15 Antitumor activity against murine L1210 resistant cell line by using MTT assay 7699715
NON-PROTEIN TARGET IC50 = 7.15 nM 8.15 Cytotoxicity against human melanoma cells -
L1210 IC50 = 7.0 nM 8.15 Anti-tumor activity against murine L1210 sensitive cell line by using MTT assay 7699715
L1210 IC50 = 7.0 nM 8.15 Inhibitory activity against resistant murine leukemia L1210 cell lines. 8648600
L1210 IC50 = 7.0 nM 8.15 Tested for inhibitory activity against murine cell line L12110, a strain resista... 10956214
L1210 IC50 = 7.0 nM 8.15 Tested for inhibitory activity against murine cell line L12110, a strain sensiti... 10956214
L1210 IC50 = 7.0 nM 8.15 Antitumor activity against murine leukemia L1210 cell line. 8960558
L1210 IC50 = 7.0 nM 8.15 Antitumor activity against sensitive L1210 murine leukemia cell lines. 8960558
L1210 IC50 = 7.0 nM 8.15 Tested against L1210 resistant murine leukemia cells by MTT tetrazolium dye assa... 8459403
L1210 IC50 = 7.0 nM 8.15 Tested against L1210 sensitive murine leukemia cells by MTT tetrazolium dye assa... 8459403
NON-PROTEIN TARGET IC50 = 7.24 nM 8.14 Cytotoxicity against human Ovarian cancer cells -
HCT-15 IC50 = 8.0 nM 8.1 Tested against human colon carcinoma HCT 15 cell line in vitro 8459403
A549 IC50 = 10.0 nM 8.0 Activity against A549 cancer cell line. 8960558
A549 IC50 = 10.0 nM 8.0 Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B dye assay 17707644
WiDr IC50 = 10.0 nM 8.0 Activity against sensitive cell line of WiDr human colon tumor 7699715
Unchecked IC50 = 10.0 nM 8.0 Tested for inhibitory activity against human tumor cell line A549 (a non small, ... 10956214
A549 IC50 = 10.0 nM 8.0 Compound was tested against A549 lung cancer cell line in the sulforhodamine B a... 8648600
WiDr IC50 = 13.0 nM 7.89 Tested for inhibitory activity against a sensitive strain of human colon carcino... 10956214

Literature References

PubMed DOI Target Context # Activities
8459403 10.1021/jm00058a014 L1210 6
- 10.1007/s00044-013-0554-z NON-PROTEIN TARGET 4
10956214 10.1021/jm9905817 MCF7 3
8648600 10.1021/jm950742g L1210 3
7699715 10.1021/jm00006a018 Mus musculus 3
8648600 10.1021/jm950742g MCF7 3
8960558 10.1021/jm960623g MCF7 3
8459403 10.1021/jm00058a014 ADMET 2
10956214 10.1021/jm9905817 L1210 2
7699715 10.1021/jm00006a018 L1210 2
8960558 10.1021/jm960623g WiDr 2
7699715 10.1021/jm00006a018 ADMET 2
10956214 10.1021/jm9905817 WiDr 2
8960558 10.1021/jm960623g L1210 2
8459403 10.1021/jm00058a014 Unchecked 2
8648600 10.1021/jm950742g WiDr 2
7699715 10.1021/jm00006a018 WiDr 2
8960558 10.1021/jm960623g UACC-375 1
8459403 10.1021/jm00058a014 COLO 480 1
8459403 10.1021/jm00058a014 LoVo 1

Data from ChEMBL 36 via Core Engine