BEROTRALSTAT HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 88SH1NBL2B

Structure
InChI Key XFZLBLTUANGZBD-UHFFFAOYSA-N
Smile Cl.Cl.N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1
InChI
InChI=1S/C30H26F4N6O.2ClH/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36;;/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H28Cl2F4N6O
Molecular Weight 635.49
AlogP 5.7
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 108.76
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Plasma kallikrein inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Angioedemas, Hereditary 4 D054179 FDA

Cross References

Resources Reference
ChEMBL CHEMBL4594272
FDA SRS 88SH1NBL2B
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