Compound Detail
CHEMBL857
BIOTIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL857 |
| Name | BIOTIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
4
Targets
6
Activities
3
Assay Types
3
PK Parameters
20
Publications
12
Known Names
11
Indications
Molecular Properties
244.3
MW (Da)
0.80
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1985 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Anemia Anemia, Iron-Deficiency Diabetes Mellitus, Type 2 Kidney Failure, Chronic Asthma Multiple Sclerosis Amyotrophic Lateral Sclerosis Anemia, Neonatal Heart Failure Huntington Disease Anemia, Sickle Cell
ATC Classification
A11HA05
biotin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: VITAMINS
Activity Summary
EC50 3 meas. best 5.69
Kd 2 meas. best 5.22
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 6.28 | 6.28 | 528.7 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.69 | 5.69 | 2057.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.62 | 5.61 | 2373.0 | 2 |
| No relevant target CHEMBL2362975 | Kd | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1e+16 | M-1 | - |
| Ka | 1e+16 | M-1 | - |
| Ka | 1000000000000000.0 | /M | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 528.66 | nM | 6.28 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| HEK293 | EC50 | = | 2057.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Insulin-degrading enzyme | EC50 | = | 2373.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Insulin-degrading enzyme | EC50 | = | 2526.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| No relevant target | Kd | = | 6000.0 | nM | 5.22 | Dissociation constant of the compound | 15293991 |
Literature References
Data from ChEMBL 36 via Core Engine