Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6X58GJ0RMS

Structure

InChI Key QRCZXFIANKOFOR-UHFFFAOYSA-N
Smile Clc1ccc2c(NCCCN3CCC(NC(c4ccccn4)c4ccccn4)CC3)ccnc2c1
InChI
InChI=1S/C28H31ClN6/c29-21-8-9-23-24(10-16-33-27(23)20-21)30-15-5-17-35-18-11-22(12-19-35)34-28(25-6-1-3-13-31-25)26-7-2-4-14-32-26/h1-4,6-10,13-14,16,20,22,28,34H,5,11-12,15,17-19H2,(H,30,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31ClN6
Molecular Weight 487.05
AlogP 5.32
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 65.97
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1254709
FDA SRS 6X58GJ0RMS
PubChem 25208163
ZINC ZINC000043205091