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

CHEMBL43482

MITONAFIDE
🧪 Phase II
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
🧪 Phase II
CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43482
Name MITONAFIDE
Phase Phase II
Structure Type MOL
InChI Key XXVLKDRPHSFIIB-UHFFFAOYSA-N

Known Names

Mitonafida Mitonafide NSC-300288
28
Targets
57
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

313.3
MW (Da)
1.91
ALogP
5
HBA
0
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C16H15N3O4
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.23

Activity Summary

IC50 56 meas. best 7.92
EC50 1 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 7.92 5.98 12.0 5
T-24
CHEMBL614774
 IC50 7.92 6.126 12.0 5
HepG2
CHEMBL395
 IC50 7.92 6.44 12.0 2
HT-29
CHEMBL384
 IC50 6.66 6.44 220.0 2
LoVo
CHEMBL614721
 IC50 6.4 6.4 400.0 1
CHL-1
CHEMBL1075422
 IC50 6.3 5.9667 500.0 3
UACC-903
CHEMBL612446
 IC50 6.3 5.78 500.0 3
Unchecked
CHEMBL612545
 IC50 6.22 5.69 600.0 9
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.89 5.66 1300.0 2
SK-OV-3
CHEMBL614925
 IC50 5.86 5.64 1380.0 3
HL-60
CHEMBL383
 IC50 5.8 5.8 1600.0 1
HK-2
CHEMBL4296428
 IC50 5.67 5.67 2130.0 1
HCT-15
CHEMBL612263
 IC50 5.58 5.58 2600.0 1
SMMC-7721
CHEMBL613831
 IC50 5.49 5.325 3220.0 2
MGC-803
CHEMBL3706566
 IC50 5.48 5.2475 3320.0 4
NB-4
CHEMBL614188
 IC50 5.47 5.47 3400.0 1
CNE-2
CHEMBL4296409
 IC50 5.47 5.47 3420.0 1
A-375
CHEMBL613859
 IC50 5.28 5.28 5300.0 1
A2780
CHEMBL614004
 IC50 5.28 5.28 5220.0 1
HUVEC
CHEMBL613979
 IC50 5.23 5.23 5900.0 1
MDA-MB-231
CHEMBL400
 IC50 5.12 5.12 7590.0 1
L02
CHEMBL4296457
 IC50 5.07 5.07 8510.0 1
U-251
CHEMBL615022
 IC50 5.01 5.01 9680.0 1
Calf thymus DNA
CHEMBL612514
 EC50 4.94 4.94 11500.0 1
HCT-116
CHEMBL394
 IC50 4.91 4.91 12230.0 1
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 4.46 4.46 34800.0 1
V79
CHEMBL614074
 IC50 4.38 4.38 41600.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
 IC50 4.36 4.36 43400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 12.0 nM 7.92 Antiproliferative activity against human A549 cells by MTT assay 33109400
HepG2 IC50 = 12.0 nM 7.92 Antiproliferative activity against human HepG2 cells incubated for 48 hrs by MTT... 37972528
T-24 IC50 = 12.0 nM 7.92 Antiproliferative activity against human T24 cells incubated for 48 hrs by MTT a... 38784471
HT-29 IC50 = 220.0 nM 6.66 Cytotoxicity against human HT-29 cells after 144 hrs 18774722
LoVo IC50 = 400.0 nM 6.4 Antiproliferative activity against LoVo cells after 72 hrs by MTT assay 17658777
UACC-903 IC50 = 500.0 nM 6.3 Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut... 28458134
CHL-1 IC50 = 500.0 nM 6.3 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 28458134
HT-29 IC50 = 600.0 nM 6.22 In vitro cytotoxicity against HT-29 (human colon adenocarcinoma) cell line. 9046334
Unchecked IC50 = 600.0 nM 6.22 Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta... 28458134
UACC-903 IC50 = 800.0 nM 6.1 Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut... 28458134
Unchecked IC50 = 900.0 nM 6.05 Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta... 28458134
CHL-1 IC50 = 900.0 nM 6.05 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 28458134
T-24 IC50 = 1110.0 nM 5.96 Antiproliferative activity against human T-24 cells by MTT assay 33109400
T-24 IC50 = 1110.0 nM 5.96 Antiproliferative activity against human T24 cells incubated for 48 hrs by MTT a... 37972528
NON-PROTEIN TARGET IC50 = 1300.0 nM 5.89 Antiproliferative activity against U373MG cells after 72 hrs by MTT assay 17658777
Unchecked IC50 = 1300.0 nM 5.89 Antiproliferative activity against human A375M cells harboring BRAF V600E mutant... 28458134
SK-OV-3 IC50 = 1380.0 nM 5.86 Antiproliferative activity against human SK-OV-3 cells by MTT assay 33109400
SK-OV-3 IC50 = 1380.0 nM 5.86 Antiproliferative activity against human SK-OV-3 cells incubated for 48 hrs by M... 37972528
A549 IC50 = 1500.0 nM 5.82 Antiproliferative activity against human A549 cells assessed as inhibition of ce... 37974948
Unchecked IC50 = 1500.0 nM 5.82 Antiproliferative activity against human A375M cells harboring BRAF V600E mutant... 28458134

Literature References

PubMed DOI Target Context # Activities
25960324 10.1016/j.bmc.2015.04.030 Nucleic Acid 11
25960324 10.1016/j.bmc.2015.04.030 Unchecked 9
19954251 10.1021/jm901131m SH-SY5Y 6
28458134 10.1016/j.ejmech.2017.04.052 Unchecked 6
37974948 10.1021/acsmedchemlett.3c00353 Unchecked 4
17125272 10.1021/jm0606793 PC-3 3
19954251 10.1021/jm901131m HL-60 3
28458134 10.1016/j.ejmech.2017.04.052 CHL-1 3
28458134 10.1016/j.ejmech.2017.04.052 UACC-903 3
32111436 10.1016/j.bmcl.2020.127051 T-24 3
36894107 10.1016/j.bmcl.2023.129218 MGC-803 3
32111436 10.1016/j.bmcl.2020.127051 HepG2 3
30312931 10.1016/j.ejmech.2018.09.055 Sarcoma-180 3
17658777 10.1021/jm070315q NON-PROTEIN TARGET 2
15974599 10.1021/jm048946x HL-60 2
15974599 10.1021/jm048946x SK-MEL-2 2
15974599 10.1021/jm048946x A549 2
15974599 10.1021/jm048946x MCF7 2
15974599 10.1021/jm048946x HCT-116 2
19954251 10.1021/jm901131m Calf thymus DNA 2

Data from ChEMBL 36 via Core Engine