BELORANIB


Synonyms	Beloranib ZGN-433 ZGN-440 Zgn-433 Zgn-440
Status
Molecule Category	UNKNOWN
UNII	FI471K8BU6
EPA CompTox	DTXSID40179800


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZEZFKUBILQRZCK-MJSCXXSSSA-N
Smiles	CO[C@@H]1[C@H](OC(=O)/C=C/c2ccc(OCCN(C)C)cc2)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
InChI	InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H41NO6
Molecular Weight	499.65
AlogP	4.26
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	11.0
Polar Surface Area	73.06
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	36.0

Bioactivity

Mechanism of Action	Action	Reference
Methionine aminopeptidase 2 inhibitor	INHIBITOR	PubMed PubMed


Protein: Methionine aminopeptidase 2 Description: Methionine aminopeptidase 2 Organism : Homo sapiens P50579 ENSG00000111142

Cross References

Resources	Reference
ChEMBL	CHEMBL4297504
DrugBank	DB12671
FDA SRS	FI471K8BU6
Guide to Pharmacology	8445
PubChem	6918502
SureChEMBL	SCHEMBL14648763
ZINC	ZINC000003982162

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).