Compound Detail

CHEMBL3989697

RIBOFLAVIN 5'-PHOSPHATE SODIUM

💊 Approved Drug

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💊 Approved Drug

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3989697
Name	RIBOFLAVIN 5'-PHOSPHATE SODIUM
Phase	Approved
Structure Type	MOL
InChI Key	LQVGUKOCMOKKJU-QPVGXXQTSA-M
Therapeutic	✓ Yes
Parent Compound	CHEMBL1201794
Active Moiety	CHEMBL1201794

Known Names

E-101(ii) Flavin mononucleotide dihydrate Ins no.101(ii) Ins-101(ii) NSC-759230 Phosphated riboflavin Photrexa Photrexa viscous Photrexa viscous in dextran 20% Riboflavin 5'-phosphate sodium Riboflavin 5'-phosphate sodium component of collagex-hypotonic Riboflavin 5'-phosphate sodium component of collagex-rapid +4 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

456.4

MW (Da)

-1.61

ALogP

HBA

HBD

208.1

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1985
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product

Extended Properties

Molecular Formula	C17H24N4NaO11P
MW	514.36
Aromatic Rings	1
Heavy Atoms	31
NP-Likeness	0.25

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Unknown	-	-	✓	✓

Indications

Keratoconus

Activity Summary

IC50 4 meas. best 6.42

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thiosulfate sulfurtransferase CHEMBL4295835	IC50	6.42	6.42	380.0	1
GroEL/GroES CHEMBL4106139	IC50	6.11	5.09	770.0	2
HSP60/HSP10 CHEMBL4106131	IC50	4.1	4.1	80000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Thiosulfate sulfurtransferase	IC50	=	380.0	nM	6.42	Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodane...	30852084
GroEL/GroES	IC50	=	770.0	nM	6.11	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch...	30852084
HSP60/HSP10	IC50	=	80000.0	nM	4.1	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co...	30852084
GroEL/GroES	IC50	=	85000.0	nM	4.07	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Esche...	30852084

Literature References

PubMed	DOI	Target Context	# Activities
30852084	10.1016/j.bmcl.2019.02.028	GroEL/GroES	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
30852084	10.1016/j.bmcl.2019.02.028	Thiosulfate sulfurtransferase	1
30852084	10.1016/j.bmcl.2019.02.028	Unchecked	1
30852084	10.1016/j.bmcl.2019.02.028	HSP60/HSP10	1
30852084	10.1016/j.bmcl.2019.02.028	Chaperonin GroEL	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine