SCH-79797   Click here for help

GtoPdb Ligand ID: 10971

Synonyms: SCH 79797 | SCH79797
Compound class: Synthetic organic
Comment: Potent, selective non-peptide PAR1 antagonist. Marketed as SCH-79797 dihydrochloride.

Other biological activity: SCH-79797 has been reported to exhibit antibacterial activity against Gram-positive and -negative bacteria, including MRSA and other clinically significant bacterial pathogens, with a low frequency of resistance in vivo [2]. The authors show that SCH-79797 targets both bacterial folate metabolism and membrane integrity to mediate its antibacterial effect.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 68.76
Molecular weight 371.21
XLogP 5.48
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C
Isomeric SMILES CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C
InChI InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
InChI Key AVXQPEKZIGPIJW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N'-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Synonyms Click here for help
SCH 79797 | SCH79797
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo SCH79797
GPCRdb Ligand SCH-79797
Other databases
ChEBI CHEBI:94998
ChEMBL Ligand CHEMBL63426
GtoPdb PubChem SID 405560412
PubChem CID 4259181
Search Google for chemical match using the InChIKey AVXQPEKZIGPIJW-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey AVXQPEKZIGPIJW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AVXQPEKZIGPIJW-UHFFFAOYSA-N