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Compound Detail

CHEMBL573352

TAS-106
🧪 Phase II
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🧪 Phase II
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573352
Name TAS-106
Phase Phase II
Structure Type MOL
InChI Key JFIWEPHGRUDAJN-DYUFWOLASA-N

Known Names

2'-c-ethynylcytidine 3'-c-ethynylcytidine Tas 106 Tas-106
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications
3
Mechanisms

Molecular Properties

267.2
MW (Da)
-2.56
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C11H13N3O5
MW 267.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.37

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
DNA-directed RNA polymerase I subunit RPA1 inhibitor INHIBITOR DNA-directed RNA polymerase I subunit RPA1 ✓ ✓
DNA-directed RNA polymerase II subunit RPB1 inhibitor INHIBITOR DNA-directed RNA polymerase II subunit RPB1 ✓ ✓
DNA-directed RNA polymerase III subunit RPC1 inhibitor INHIBITOR DNA-directed RNA polymerase III subunit RPC1 ✓ ✓

Indications

Head and Neck Neoplasms Neoplasms

Activity Summary

EC50 6 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poliovirus 1
CHEMBL613556
 EC50 4.7 4.65 20000.0 2
Coxsackievirus B2
CHEMBL613202
 EC50 4.62 4.62 24000.0 1
Coxsackievirus B5
CHEMBL613555
 EC50 4.52 4.52 30000.0 1
Bovine viral diarrhea virus 1
CHEMBL612571
 EC50 4.42 4.42 38000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Poliovirus 1 EC50 = 20000.0 nM 4.7 Antiviral activity against Human poliovirus 1 strain Sabin after 2 days by plaqu... 19482481
Coxsackievirus B2 EC50 = 24000.0 nM 4.62 Antiviral activity against Coxsackie virus type B2 virus infected in african gre... 19482481
Poliovirus 1 EC50 = 25000.0 nM 4.6 Antiviral activity against Poliovirus type 1 Sabin strain infected in african gr... 25082514
Coxsackievirus B5 EC50 = 30000.0 nM 4.52 Antiviral activity against Coxsackievirus B5 infected in african green monkey Ve... 25082514
Bovine viral diarrhea virus 1 EC50 = 38000.0 nM 4.42 Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... 19482481
Bovine viral diarrhea virus 1 EC50 = 38000.0 nM 4.42 Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... 25082514

Literature References

PubMed DOI Target Context # Activities
19744858 10.1016/j.bmc.2009.08.033 NON-PROTEIN TARGET 3
19744858 10.1016/j.bmc.2009.08.033 T47D 2
19744858 10.1016/j.bmc.2009.08.033 TK-10 2
19744858 10.1016/j.bmc.2009.08.033 UO-31 2
19744858 10.1016/j.bmc.2009.08.033 PC-3 2
19744858 10.1016/j.bmc.2009.08.033 DU-145 2
19744858 10.1016/j.bmc.2009.08.033 MCF7 2
19744858 10.1016/j.bmc.2009.08.033 NCI/ADR-RES 2
19744858 10.1016/j.bmc.2009.08.033 MDA-MB-231 2
19744858 10.1016/j.bmc.2009.08.033 MDA-MB-435 2
19744858 10.1016/j.bmc.2009.08.033 MDA-N 2
19744858 10.1016/j.bmc.2009.08.033 A498 2
19744858 10.1016/j.bmc.2009.08.033 RXF 393 2
19744858 10.1016/j.bmc.2009.08.033 CAKI-1 2
19744858 10.1016/j.bmc.2009.08.033 OVCAR-8 2
19744858 10.1016/j.bmc.2009.08.033 ACHN 2
19744858 10.1016/j.bmc.2009.08.033 OVCAR-4 2
19482481 10.1016/j.bmc.2009.05.020 ADMET 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
19744858 10.1016/j.bmc.2009.08.033 SK-OV-3 2

Data from ChEMBL 36 via Core Engine