BEROTRALSTAT HYDROCHLORIDE

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Search structure


Synonyms	BCX7353.2HCl Berotralstat dihydrochloride Berotralstat hydrochloride Orladeyo
Status
Molecule Category	Salt-form
UNII	88SH1NBL2B

Structure


InChI Key	XFZLBLTUANGZBD-UHFFFAOYSA-N
Smiles	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

Mechanism of Action	Action	Reference
Plasma kallikrein inhibitor	INHIBITOR	FDA

Target Conservation


Protein: Plasma kallikrein Description: Plasma kallikrein Organism : Homo sapiens P03952 ENSG00000164344

Cross References

Resources	Reference
ChEMBL	CHEMBL4594272
FDA SRS	88SH1NBL2B

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025