BIOTIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A11HA05
UNII 6SO6U10H04
EPA CompTox DTXSID7022679

Structure

InChI Key YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Smiles O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2O3S
Molecular Weight 244.32
AlogP 0.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 78.43
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.06-96.7
Unclassified protein
- - 1e - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.06-96.7
Streptomyces avidinii
- - 1e - -

Related Entries

Cross References

Resources Reference
ChEBI 15956
ChEMBL CHEMBL857
DrugBank DB00121
DrugCentral 373
FDA SRS 6SO6U10H04
Human Metabolome Database HMDB0000030
Guide to Pharmacology 4787
KEGG C00120
PDB BTN
PharmGKB PA448625
PubChem 171548
SureChEMBL SCHEMBL8763
ZINC ZINC000035024346
CONTENTS