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Compound Detail

CHEMBL1556

INOSINE
🧪 Phase III
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🧪 Phase III
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL1556
Name INOSINE
Phase Phase III
Structure Type MOL
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N

Known Names

Hypoxanthine riboside Hypoxanthosine INO-1001 Inosina Inosine Inotin NSC-20262
1
Targets
5
Activities
2
Assay Types
2
PK Parameters
20
Publications
7
Known Names
14
Indications

Molecular Properties

268.2
MW (Da)
-2.27
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -nosine

Extended Properties

Molecular Formula C10H12N4O5
MW 268.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.19

Indications

Diabetic Neuropathies Eye Diseases Jaundice, Obstructive Parkinson Disease Stroke Virus Diseases Amyotrophic Lateral Sclerosis Multiple Sclerosis, Relapsing-Remitting Multiple System Atrophy Myocardial Infarction Neoplasms Triple Negative Breast Neoplasms HIV Infections Melanoma

ATC Classification

D06BB05
inosine
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
G01AX02
inosine
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
S01XA10
inosine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

Ki 3 meas.
IC50 2 meas. best 9.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vero
CHEMBL391
IC50 9.64 9.64 0.2 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 7.5 hr Homo sapiens
T1/2 5.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vero IC50 = 0.23 nM 9.64 Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... 10464017

Literature References

PubMed DOI Target Context # Activities
20014752 10.1021/tx900326k Hepatotoxicity 3
26724729 10.1016/j.ejmech.2015.12.029 ADMET 3
12781179 10.1016/s0960-894x(03)00331-7 Adenosylhomocysteinase 3
3862866 10.1021/jm00148a018 Erythroleukemia cell line 3
- 10.1021/np50060a041 Ileum 2
26724729 10.1016/j.ejmech.2015.12.029 Purine nucleoside phosphorylase 2
18778937 10.1016/j.bmcl.2008.08.047 Purine nucleoside phosphorylase 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
30964283 10.1021/acs.jmedchem.9b00182 Purine nucleoside phosphorylase 2
10464017 10.1021/jm981132u Vero 1
- 10.1039/C3MD00159H HaCaT 1
- 10.1039/C3MD00159H L6 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
17432876 10.1021/jf070082b Spinacia oleracea 1
22947894 10.1016/j.ejmech.2012.07.052 Unchecked 1
9187257 10.1124/mol.51.6.913 Solute carrier family 22 member 1 1
22579483 10.1016/j.bmcl.2012.03.087 Trichomonas vaginalis 1
3585903 10.1021/jm00389a015 Adenosine deaminase 1
20921305 10.1128/aac.01029-10 J774.A1 1
6330305 10.1021/np50030a005 Unchecked 1

Data from ChEMBL 36 via Core Engine