EcoDrugPlus


Synonyms	DL HM-PAO DL-HM-PAO Exametazime Hexametazine
Status
Molecule Category	UNKNOWN
UNII	G29272NCKL

Synonyms

DL HM-PAO

DL-HM-PAO

Exametazime

Hexametazine

Status

Molecule Category

UNKNOWN

UNII

G29272NCKL


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


InChI Key	BPNZYADGDZPRTK-MAEUFBSDSA-N
Smiles	C/C(=N\O)C(C)NCC(C)(C)CNC(C)/C(C)=N/O
InChI	InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+

InChI Key

BPNZYADGDZPRTK-MAEUFBSDSA-N

Smiles

C/C(=N\O)C(C)NCC(C)(C)CNC(C)/C(C)=N/O

InChI

InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+

Property Name	Value
Molecular Formula	C13H28N4O2
Molecular Weight	272.39
AlogP	1.67
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	89.24
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H28N4O2

Molecular Weight

272.39

AlogP

1.67

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

89.24

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

19.0

Mechanism of Action	Action	Reference
Diagnostic agent	None	DailyMed

Mechanism of Action

Action

Reference

Diagnostic agent

None

DailyMed

Resources	Reference
ChEMBL	CHEMBL2218892
FDA SRS	G29272NCKL
PubChem	9552071
SureChEMBL	SCHEMBL17130278

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL


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).

EXAMETAZIME

Structure

Physicochemical Descriptors

Bioactivity

Cross References