EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8EU82FAZ5J
EPA CompTox	DTXSID1057828

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8EU82FAZ5J

EPA CompTox

DTXSID1057828


InChI Key	USVMJSALORZVDV-SDBHATRESA-N
Smiles	CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C
InChI	InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

InChI Key

USVMJSALORZVDV-SDBHATRESA-N

Smiles

CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C

InChI

InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

Property Name	Value
Molecular Formula	C15H21N5O4
Molecular Weight	335.16
AlogP	-0.18
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	125.55
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C15H21N5O4

Molecular Weight

335.16

AlogP

-0.18

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

125.55

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	7724-76-7
NORMAN SUSDAT
FDA SRS	8EU82FAZ5J
PubChem	24405
ChemSpider	22815.0

Resources

Reference

CAS NUMBER

7724-76-7

NORMAN SUSDAT

FDA SRS

8EU82FAZ5J

PubChem

24405

ChemSpider

22815.0

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...

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

Last update: Monday, 3 November 2025

RIBOPRINE

Structure

Physicochemical Descriptors

Cross References