BRILACIDIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII I1679X069H
EPA CompTox DTXSID90153594

Structure

InChI Key QPDYBCZNGUJZDK-DNQXCXABSA-N
Smiles 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

Mechanism of Action Action Reference
Membrane disrupting agent DISRUPTING AGENT PubMed

Cross References

Resources Reference
ChEMBL CHEMBL2219413
DrugBank DB12997
FDA SRS I1679X069H
PubChem 25023695
SureChEMBL SCHEMBL2878543
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