pranazepide   Click here for help

GtoPdb Ligand ID: 874

Synonyms: FK 480 | FK-480 | FR-120480
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 4
Topological polar surface area 77.56
Molecular weight 438.15
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2
Isomeric SMILES O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2
InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
InChI Key WKJDXKWFGJWGAS-XMMPIXPASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7424 pranazepide
Synonyms Click here for help
FK 480 | FK-480 | FR-120480
Database Links Click here for help
Specialist databases
GPCRdb Ligand pranazepide
Other databases
BindingDB Ligand 50290400
CAS Registry No. 150408-73-4
ChEMBL Ligand CHEMBL300072
GtoPdb PubChem SID 135650262
PubChem CID 132916
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UniChem Compound Search for chemical match using the InChIKey WKJDXKWFGJWGAS-XMMPIXPASA-N
UniChem Connectivity Search for chemical match using the InChIKey WKJDXKWFGJWGAS-XMMPIXPASA-N