BRILACIDIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I1679X069H

Structure
InChI Key QPDYBCZNGUJZDK-DNQXCXABSA-N
Smile N=C(N)NCCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]3CCNC3)ncn2)c1O[C@@H]1CCNC1
InChI
InChI=1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H50F6N14O6
Molecular Weight 936.92
AlogP 3.68
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 20.0
Polar Surface Area 308.5
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 66.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT Membrane disrupting agent PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1224095-98-0
ChEMBL CHEMBL2219413
DrugBank DB12997
EPA CompTox DTXSID90153594
FDA SRS I1679X069H
PubChem 25023695
SureChEMBL SCHEMBL2878543
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