RAMATROBAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P1ALI72U6C

Structure
InChI Key LDXDSHIEDAPSSA-OAHLLOKOSA-N
Smile O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
InChI
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21FN2O4S
Molecular Weight 416.47
AlogP 3.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 88.4
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST G protein-coupled receptor 44 antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 15000 - - -
Enzyme Transferase
- - - - 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- 21-754 - 4-340 98
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 62400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 116649-85-5
ChEBI 32087
ChEMBL CHEMBL361812
DrugBank DB13036
DrugCentral 2354
EPA CompTox DTXSID1046685
FDA SRS P1ALI72U6C
Guide to Pharmacology 1911
PDB A8X
PubChem 123879
SureChEMBL SCHEMBL29030
ZINC ZINC000003798772
CONTENTS