EcoDrugPlus


Synonyms	AZD8835 Azd 8835 Azd-8835 Azd8835
Status
Molecule Category	Free-form
UNII	8B97A88D35

Synonyms

AZD8835

Azd 8835

Azd-8835

Azd8835

Status

Molecule Category

Free-form

UNII

8B97A88D35


InChI Key	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
Smiles	CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1
InChI	InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)

InChI Key

ZGRDYKFVDCFJCZ-UHFFFAOYSA-N

Smiles

CCn1nc(C2CCN(C(=O)CCO)CC2)nc1-c1cnc(N)c(-c2nnc(C(C)(C)C)o2)n1

InChI

InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)

Property Name	Value
Molecular Formula	C22H31N9O3
Molecular Weight	469.55
AlogP	1.77
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	161.97
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C22H31N9O3

Molecular Weight

469.55

AlogP

1.77

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

161.97

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	1620576-64-8
ChEMBL	CHEMBL3894518
FDA SRS	8B97A88D35
Guide to Pharmacology	8915
PubChem	76685059
SureChEMBL	SCHEMBL15877923
ZINC	ZINC000145460849

Resources

Reference

CAS NUMBER

1620576-64-8

ChEMBL

CHEMBL3894518

FDA SRS

8B97A88D35

Guide to Pharmacology

PubChem

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, 27^th July 2026

AZD-8835

Structure

Physicochemical Descriptors

Cross References