MITOBRONITOL


Synonyms	DBM Dibromomannitol Mitobronitol Myebrol Myelobromol NSC-94100
Status
Molecule Category	Free-form
ATC	L01AX01
UNII	5UP30YED7N
EPA CompTox	DTXSID7022918


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

Structure


InChI Key	VFKZTMPDYBFSTM-KVTDHHQDSA-N
Smiles	O[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr
InChI	InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H12Br2O4
Molecular Weight	307.97
AlogP	-0.78
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	80.92
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Bioactivity

Mechanism of Action	Action	Reference
DNA disrupting agent	DISRUPTING AGENT	BNF

Related Entries

Cross References

Resources	Reference
ChEBI	34853
ChEMBL	CHEMBL447629
DrugBank	DB13543
DrugCentral	858
FDA SRS	5UP30YED7N
KEGG	C13522
PubChem	656655
SureChEMBL	SCHEMBL8500
ZINC	ZINC000002507451

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).