EcoDrugPlus


Synonyms	ALXN1101 HBr Fosdenopterin hydrobromide Nulibry
Status
Molecule Category	Salt-form
UNII	X41B5W735T

Synonyms

ALXN1101 HBr

Fosdenopterin hydrobromide

Nulibry

Status

Molecule Category

Salt-form

UNII

X41B5W735T


InChI Key	GGLKTKQOHMCQHF-UNHNTEMGSA-N
Smiles	Br.Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2.O.O
InChI	InChI=1S/C10H14N5O8P.BrH.2H2O/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18;;;/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16);1H;2*1H2/t2-,4-,5+,8-;;;/m1.../s1

InChI Key

GGLKTKQOHMCQHF-UNHNTEMGSA-N

Smiles

Br.Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2.O.O

InChI

InChI=1S/C10H14N5O8P.BrH.2H2O/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18;;;/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16);1H;2*1H2/t2-,4-,5+,8-;;;/m1.../s1

Property Name	Value
Molecular Formula	C10H19BrN5O10P
Molecular Weight	480.17
AlogP	-2.52
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	7.0
Polar Surface Area	201.28
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H19BrN5O10P

Molecular Weight

480.17

AlogP

-2.52

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

7.0

Polar Surface Area

201.28

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL4594300
FDA SRS	X41B5W735T

Resources

Reference

ChEMBL

CHEMBL4594300

FDA SRS

X41B5W735T

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

FOSDENOPTERIN HYDROBROMIDE

Structure

Physicochemical Descriptors

Cross References