EcoDrugPlus


Synonyms	ALXN-1101 ANHYDROUS FREE BASE ALXN1101 C(pmp) Fosdenopterin Precursor z
Status
Molecule Category	Free-form
UNII	4X7K2681Y7
EPA CompTox	DTXSID90934067

Synonyms

ALXN-1101 ANHYDROUS FREE BASE

ALXN1101

C(pmp)

Fosdenopterin

Precursor z

Status

Molecule Category

Free-form

UNII

4X7K2681Y7

EPA CompTox

DTXSID90934067


InChI Key	CZAKJJUNKNPTTO-AJFJRRQVSA-N
Smiles	Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2
InChI	InChI=1S/C10H14N5O8P/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)/t2-,4-,5+,8-/m1/s1

InChI Key

CZAKJJUNKNPTTO-AJFJRRQVSA-N

Smiles

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

InChI

InChI=1S/C10H14N5O8P/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)/t2-,4-,5+,8-/m1/s1

Property Name	Value
Molecular Formula	C10H14N5O8P
Molecular Weight	363.22
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

C10H14N5O8P

Molecular Weight

363.22

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
CAS NUMBER	150829-29-1
ChEBI	60210
ChEMBL	CHEMBL2338675
FDA SRS	4X7K2681Y7
Human Metabolome Database	HMDB0059639
KEGG	C18239
SureChEMBL	SCHEMBL16156371
ZINC	ZINC000034962340

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

FDA SRS

Human Metabolome Database

KEGG

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

FOSDENOPTERIN

Structure

Physicochemical Descriptors

Cross References