General Information of the Compound
Compound ID
CP0282055
Compound Name
Telomestatin (TMS)
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Synonyms
AC1L9EVW
BDBM213233
CHEBI:29689
CHEBI:601758
CHEMBL443683
DCL000983
SCHEMBL10025441
SureCN10025441
Telomestatin
Telomestatin (TMS)
YVSQVYZBDXIXCC-UHFFFAOYSA-N
gm95
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Structure
Formula
C26H14N8O7S
Molecular Weight
582.514
Canonical SMILES
Cc1oc2nc1-c1nc(c(C)o1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C1=NC2CS1
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InChI
InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,16H,8H2,1-2H3
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InChIKey
YVSQVYZBDXIXCC-UHFFFAOYSA-N
Physicochemical Property
logP
5.76954
Rotatable Bonds
0
Heavy Atom Count
42
Polar Areas
194.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
16
Complexity
42

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 443590
SID: 14911415
ChEMBL ID
CHEMBL443683
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01466, Telomerase reverse transcriptase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  5
1
IC50 = 0.64 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
3
IC50 = 58 nM
   TI
   LI
   LO
   TS
4
IC50 = 900 nM
   TI
   LI
   LO
   TS
5
IC50 = 1150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.7 nM
2 IC50 = 20 nM
Clinical Information about the Compound
Drug 1 ( Telomestatin )
Drug Name Telomestatin
Company Geron Corp
Indication
Multiple myeloma
Investigative
Target(s)
Telomerase reverse transcriptase (TERT)
Inhibitor