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Compound Detail

CHEMBL491510

TALERANOL
🧪 Phase II
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🧪 Phase II
C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491510
Name TALERANOL
Phase Phase II
Structure Type MOL
InChI Key DWTTZBARDOXEAM-JSGCOSHPSA-N

Known Names

P-1560 Taleranol
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
16
Publications
2
Known Names

Molecular Properties

322.4
MW (Da)
3.29
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Year 1975

Extended Properties

Molecular Formula C18H26O5
MW 322.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.48

Activity Summary

IC50 7 meas. best 5.82
EC50 2 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor beta
CHEMBL242
 EC50 7.14 6.9 72.0 2
Human alphaherpesvirus 1
CHEMBL377
 IC50 5.82 5.32 1500.0 2
NCI-H460
CHEMBL396
 IC50 5.02 4.915 9500.0 2
Androgen receptor
CHEMBL3072
 IC50 4.8 4.61 15848.9 2
Vero
CHEMBL391
 IC50 4.65 4.65 22610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor beta EC50 = 72.0 nM 7.14 Agonist activity at ERbeta by fluorescence polarization assay 12828470
Estrogen receptor beta EC50 = 220.0 nM 6.66 Agonist activity at ERbeta by fluorescence polarization assay 12828470
Human alphaherpesvirus 1 IC50 = 1500.0 nM 5.82 Antiviral activity against HSV1 F infected in african green monkey Vero cells as... 12828470
NCI-H460 IC50 = 9500.0 nM 5.02 Cytotoxicity against human H460 cells after 72 hrs by MTS assay 21513293
Human alphaherpesvirus 1 IC50 = 15000.0 nM 4.82 Antiviral activity against HSV1 F infected in african green monkey Vero cells as... 12828470
NCI-H460 IC50 = 15400.0 nM 4.81 Cytotoxicity against human H460 cells after 72 hrs by MTS assay 21513293
Androgen receptor IC50 = 15848.93 nM 4.8 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935
Vero IC50 = 22610.0 nM 4.65 Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... 27311894
Androgen receptor IC50 = 38018.94 nM 4.42 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935

Literature References

PubMed DOI Target Context # Activities
16134935 10.1021/jm050403f Androgen receptor 2
12828470 10.1021/np020556v Human alphaherpesvirus 1 2
12828470 10.1021/np020556v NON-PROTEIN TARGET 2
12828470 10.1021/np020556v Estrogen receptor beta 2
16499313 10.1021/np058095b Unchecked 2
16499313 10.1021/np058095b MCF7 2
21513293 10.1021/np200062x MCF7 2
21513293 10.1021/np200062x NCI-H460 2
21513293 10.1021/np200062x SF-268 2
21513293 10.1021/np200062x HT-29 2
21513293 10.1021/np200062x MDA-MB-435 2
27311894 10.1016/j.bmcl.2016.06.007 KB 2
27311894 10.1016/j.bmcl.2016.06.007 MCF7 2
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
27311894 10.1016/j.bmcl.2016.06.007 Vero 1

Data from ChEMBL 36 via Core Engine