QUARFLOXIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8M31J5031Q

Structure
InChI Key WOQIDNWTQOYDLF-CGAIIQECSA-N
Smile CN1CCC[C@H]1CCNC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2
InChI
InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23?,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H33FN6O3
Molecular Weight 604.69
AlogP 5.39
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 92.59
Molecular species BASE
Aromatic Rings 5.0
Heavy Atoms 45.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Carcinoid Tumor 2 D002276 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 865311-47-3
ChEMBL CHEMBL3989407
DrugBank DB06638
FDA SRS 8M31J5031Q
PubChem 11635763
SureChEMBL SCHEMBL4571335
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