EcoDrugPlus


Synonyms	BI 409306 BI-409306 Bi 409306 Osoresnontrine SUB 166499
Status
Molecule Category	Free-form
UNII	O9OC34WOAY

Synonyms

BI 409306

BI-409306

Bi 409306

Osoresnontrine

SUB 166499

Status

Molecule Category

Free-form

UNII

O9OC34WOAY


InChI Key	BZTIJCSHNVZMES-UHFFFAOYSA-N
Smiles	O=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCOCC1
InChI	InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)

InChI Key

BZTIJCSHNVZMES-UHFFFAOYSA-N

Smiles

O=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCOCC1

InChI

InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)

Property Name	Value
Molecular Formula	C16H17N5O2
Molecular Weight	311.35
AlogP	1.46
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	85.69
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C16H17N5O2

Molecular Weight

311.35

AlogP

1.46

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

85.69

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

23.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 9 Phosphodiesterase 9A	-	52	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Phosphodiesterase Phosphodiesterase 9 Phosphodiesterase 9A

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	52	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Resources	Reference
ChEMBL	CHEMBL4206492
DrugBank	DB16274
FDA SRS	O9OC34WOAY
PubChem	135908617
SureChEMBL	SCHEMBL7885817

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

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

OSORESNONTRINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References