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Compound Detail

CHEMBL2016761

RDV-TP
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N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2016761
Name RDV-TP
Phase Preclinical
Structure Type MOL
InChI Key DFVPCNAMNAPBCX-LTGWCKQJSA-N

Known Names

Rdv-tp
7
Targets
8
Activities
2
Assay Types
1
PK Parameters
15
Publications
1
Known Names

Molecular Properties

531.2
MW (Da)
-1.51
ALogP
14
HBA
7
HBD
289.5
PSA (Ų)
0.19
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Extended Properties

Molecular Formula C12H16N5O13P3
MW 531.20
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.66

Activity Summary

EC50 4 meas. best 7.89
IC50 4 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 7.89 7.89 13.0 1
SARS-CoV
CHEMBL4303836
 EC50 6.75 6.75 180.0 1
Feline coronavirus
CHEMBL612744
 EC50 6.11 6.11 780.0 1
Middle East respiratory syndrome-related coronavirus
CHEMBL4296578
 EC50 6.07 6.07 860.0 1
Unchecked
CHEMBL612545
 IC50 5.96 5.63 1100.0 2
Hepatitis C virus
CHEMBL379
 IC50 5.25 5.25 5600.0 1
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 5.21 5.21 6210.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 26.6 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 13.0 nM 7.89 Antiviral activity against Respiratory syncytial virus 37229831
SARS-CoV EC50 = 180.0 nM 6.75 Antiviral activity against SARS coronavirus infected in primary HAE cells 32665809
Feline coronavirus EC50 = 780.0 nM 6.11 Antiviral activity against Feline corona virus infected in CRFK cells 32665809
Middle East respiratory syndrome-related coronavirus EC50 = 860.0 nM 6.07 Antiviral activity against Middle East respiratory syndrome coronavirus infected... 32665809
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of Respiratory syncytial virus A2 RNA-dependent-RNA polymerase assess... 28124907
Unchecked IC50 = 5000.0 nM 5.3 Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase pr... 28124907
Hepatitis C virus IC50 = 5600.0 nM 5.25 Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent RNA polymerase us... 22446091
Replicase polyprotein 1ab IC50 = 6210.0 nM 5.21 Inhibition of SARS-CoV-2 RdRp expressed in Escherichia coli BL21 (DE3) cells inc... 36965227

Literature References

PubMed DOI Target Context # Activities
28124907 10.1021/acs.jmedchem.6b01594 Unchecked 6
28124907 10.1021/acs.jmedchem.6b01594 DNA-directed RNA polymerase, mitochondrial 2
22446091 10.1016/j.bmcl.2012.02.105 Hepatitis C virus 1
28124907 10.1021/acs.jmedchem.6b01594 DNA polymerase alpha catalytic subunit 1
28124907 10.1021/acs.jmedchem.6b01594 DNA polymerase beta 1
28124907 10.1021/acs.jmedchem.6b01594 PBMC 1
28124907 10.1021/acs.jmedchem.6b01594 ADMET 1
28124907 10.1021/acs.jmedchem.6b01594 Macrophage 1
32665809 10.1021/acsmedchemlett.0c00316 SARS-CoV 1
32665809 10.1021/acsmedchemlett.0c00316 Unchecked 1
32665809 10.1021/acsmedchemlett.0c00316 Middle East respiratory syndrome-related coronavirus 1
32665809 10.1021/acsmedchemlett.0c00316 Feline coronavirus 1
37229831 10.1016/j.ejmech.2023.115503 Respiratory syncytial virus 1
36965227 10.1016/j.ejmech.2023.115292 Replicase polyprotein 1ab 1
38685143 10.1016/j.ejmech.2024.116442 ADMET 1

Data from ChEMBL 36 via Core Engine