EcoDrugPlus


Synonyms	D 19575 D-19575 Glucosylifosfamide mustard Glufosfamide
Status
Molecule Category	UNKNOWN
UNII	1W5N8SZD9A

Synonyms

D 19575

D-19575

Glucosylifosfamide mustard

Glufosfamide

Status

Molecule Category

UNKNOWN

UNII

1W5N8SZD9A


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


InChI Key	PSVUJBVBCOISSP-SPFKKGSWSA-N
Smiles	O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1

InChI Key

PSVUJBVBCOISSP-SPFKKGSWSA-N

Smiles

O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1

Property Name	Value
Molecular Formula	C10H21Cl2N2O7P
Molecular Weight	383.17
AlogP	-1.43
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	9.0
Polar Surface Area	140.51
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C10H21Cl2N2O7P

Molecular Weight

383.17

AlogP

-1.43

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

9.0

Polar Surface Area

140.51

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

22.0

Resources	Reference
ChEMBL	CHEMBL2107143
DrugBank	DB06177
FDA SRS	1W5N8SZD9A
PubChem	123628
SureChEMBL	SCHEMBL18241
ZINC	ZINC000003918137

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC


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).

GLUFOSFAMIDE

Structure

Physicochemical Descriptors

Cross References