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Compound Detail

CHEMBL452867

RIBOPRINE
🧪 Phase II
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🧪 Phase II
CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452867
Name RIBOPRINE
Phase Phase II
Structure Type MOL
InChI Key USVMJSALORZVDV-SDBHATRESA-N

Known Names

IPA N6-(2-isopentenyl)-adenosine N6-isopentenyladenosine NSC-105546 Riboprina Riboprine
2
Targets
16
Activities
3
Assay Types
0
PK Parameters
13
Publications
6
Known Names

Molecular Properties

335.4
MW (Da)
-0.18
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Year 1968

Extended Properties

Molecular Formula C15H21N5O4
MW 335.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.20

Activity Summary

IC50 11 meas. best 6.75
Kd 4 meas.
EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.75 5.9422 180.0 9
Enterovirus A71
CHEMBL612436
 EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 180.01 nM 6.75 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 342.36 nM 6.47 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 637.39 nM 6.2 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 854.95 nM 6.07 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 912.12 nM 6.04 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Enterovirus A71 EC50 = 1000.0 nM 6.0 Antiviral activity against Enterovirus 71 infected in human RD cells assessed as... 26854380
Unchecked IC50 = 995.2 nM 6.0 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 2658.0 nM 5.58 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 4688.7 nM 5.33 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 9006.9 nM 5.04 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -

Literature References

PubMed DOI Target Context # Activities
25184810 10.1021/jm500869x Farnesyl pyrophosphate synthase 8
20494583 10.1016/j.bmc.2010.04.093 T-24 4
9822549 10.1021/jm9802620 Unchecked 2
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
28159412 10.1016/j.bmcl.2017.01.040 Tick-borne encephalitis virus 2
28159412 10.1016/j.bmcl.2017.01.040 Unchecked 2
9934461 10.1016/s0960-894x(98)00635-0 Unchecked 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
20921305 10.1128/aac.01029-10 J774.A1 1
25467153 10.1016/j.bmcl.2014.10.080 Platelet 1
26854380 10.1016/j.ejmech.2016.01.036 Enterovirus A71 1
26854380 10.1016/j.ejmech.2016.01.036 RD 1
26854380 10.1016/j.ejmech.2016.01.036 Unchecked 1

Data from ChEMBL 36 via Core Engine