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

CHEMBL2170856

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
O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170856
Phase Preclinical
Structure Type MOL
InChI Key MIQUEZGHEJGPJB-UHFFFAOYSA-N
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.01
ALogP
6
HBA
6
HBD
139.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O6
MW 380.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.52

Activity Summary

IC50 10 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
 IC50 6.64 5.95 230.0 8
U-937
CHEMBL612794
 IC50 6.17 5.97 670.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 230.0 nM 6.64 Inhibition of telomerase activity in human MDA-MB-435 cell lysate measured after... 27657809
Telomerase reverse transcriptase IC50 = 230.0 nM 6.64 Inhibition of telomerase activity in human U2OS cell lysate measured after 24 hr... 27657809
Telomerase reverse transcriptase IC50 = 670.0 nM 6.17 Inhibition of telomerase in human U937 cells by telomeric repeat amplification p... 22413845
Telomerase reverse transcriptase IC50 = 670.0 nM 6.17 Inhibition of human telomerase isolated from human U937 cellular extracts by SYB... 24053596
Telomerase reverse transcriptase IC50 = 670.0 nM 6.17 Inhibition of telomerase extracted from human U937 cells by TRAP assay -
U-937 IC50 = 670.0 nM 6.17 Antiproliferative activity against human U-937 cells measured upto 72 hrs 37776575
Telomerase reverse transcriptase IC50 = 1000.0 nM 6.0 Inhibition of telomerase (unknown origin) 36669398
U-937 IC50 = 1700.0 nM 5.77 Antiproliferative activity against human U-937 cells assessed as cell growth inh... 37776575
Telomerase reverse transcriptase IC50 = 12100.0 nM 4.92 Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3'... 22413845
Telomerase reverse transcriptase IC50 = 12800.0 nM 4.89 Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3'... 22413845

Literature References

PubMed DOI Target Context # Activities
27657809 10.1016/j.ejmech.2016.09.028 Telomerase reverse transcriptase 5
22413845 10.1021/jm201191d Telomerase reverse transcriptase 4
22413845 10.1021/jm201191d Unchecked 2
37776575 10.1016/j.ejmech.2023.115820 U-937 2
22413845 10.1021/jm201191d Nucleic Acid 1
24053596 10.1021/jm400528t Telomerase reverse transcriptase 1
- 10.1039/C0MD00241K Telomerase reverse transcriptase 1
27657809 10.1016/j.ejmech.2016.09.028 MDA-MB-435 1
36669398 10.1016/j.ejmech.2023.115121 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine