RITODRINE

Search structure
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G02CA01
UNII: I0Q6O6740J

Structure
InChI Key IOVGROKTTNBUGK-SJCJKPOMSA-N
Smile C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
InChI
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21NO3
Molecular Weight 287.36
AlogP 2.35
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.892
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -49.11-1.43
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Galanin receptor
- 932 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
190.55 23.99 - - -

Indications

Mesh Heading Maximum Phase Reference
Obstetric Labor, Premature; Premature Birth Phase 4 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 26652-09-5
ChEBI 91775
ChEMBL CHEMBL83063
FDA SRS I0Q6O6740J
Guide to Pharmacology 7294
PubChem 31729
SureChEMBL SCHEMBL4430018
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