Compound Detail
CHEMBL1201794
RIBOFLAVIN 5'-PHOSPHATE 💊 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
Basic Information
| ChEMBL ID | CHEMBL1201794 |
| Name | RIBOFLAVIN 5'-PHOSPHATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FVTCRASFADXXNN-SCRDCRAPSA-N |
| Therapeutic | ✓ Yes |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
456.4
MW (Da)
-1.61
ALogP
10
HBA
6
HBD
208.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1985 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Keratoconus
Activity Summary
IC50 3 meas. best 4.26
Kd 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | Kd | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.32 | 4.32 | 48000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.26 | 4.26 | 55000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | Kd | = | 500.0 | nM | 6.3 | Dissociation constant of the compound | 15293991 |
| Unchecked | Kd | = | 48000.0 | nM | 4.32 | Binding affinity to Cryptosporidium hominis TS-DHFR by burst amplitude assay | 19059777 |
| Unchecked | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of Cryptosporidium hominis 80 to 250 nM TS-DHFR by spectroscopic assa... | 19059777 |
| Unchecked | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of Cryptosporidium hominis TS-DHFR by spectroscopic assay | 19059777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19059777 | 10.1016/j.bmcl.2008.11.054 | Unchecked | 7 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 19059777 | 10.1016/j.bmcl.2008.11.054 | Dihydrofolate reductase | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32505848 | 10.1016/j.ejmech.2020.112341 | Staphylococcus aureus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Kappa-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Neuronal acetylcholine receptor subunit alpha-4 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| - | 10.1016/S0960-894X(01)80421-2 | Chorismate synthase | 1 |
| 37027002 | 10.1021/acs.jmedchem.3c00039 | HAT1/Rbap46 | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| 19059777 | 10.1016/j.bmcl.2008.11.054 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 19059777 | 10.1016/j.bmcl.2008.11.054 | Thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine