[3H]ramatroban   Click here for help

GtoPdb Ligand ID: 1910

Synonyms: [3H]Bay u 3405 | [3H]BAY u3405 | [3H]baynas
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 96.78
Molecular weight 416.12
XLogP 3.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCn1c2CCC(Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F
Isomeric SMILES OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F
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
InChI Key LDXDSHIEDAPSSA-OAHLLOKOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Synonyms Click here for help
[3H]Bay u 3405 | [3H]BAY u3405 | [3H]baynas
Database Links Click here for help
ChEMBL Ligand CHEMBL361812
DrugCentral Ligand 2354
GtoPdb PubChem SID 135651196
PubChem CID 123879
RCSB PDB Ligand A8X
Search Google for chemical match using the InChIKey LDXDSHIEDAPSSA-OAHLLOKOSA-N
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UniChem Compound Search for chemical match using the InChIKey LDXDSHIEDAPSSA-OAHLLOKOSA-N
UniChem Connectivity Search for chemical match using the InChIKey LDXDSHIEDAPSSA-OAHLLOKOSA-N

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Tocris
BAY-u 3405
Cat. No. 2732