EcoDrugPlus


Synonyms	AZD7687 Azd 7687 Azd-7687 Azd7687
Status
Molecule Category	Free-form
UNII	6QTJ9P2NYT
EPA CompTox	DTXSID60655297

Synonyms

AZD7687

Azd 7687

Azd-7687

Azd7687

Status

Molecule Category

Free-form

UNII

6QTJ9P2NYT

EPA CompTox

DTXSID60655297


InChI Key	YXFNPRHZMOGREC-UHFFFAOYSA-N
Smiles	Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O
InChI	InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)

InChI Key

YXFNPRHZMOGREC-UHFFFAOYSA-N

Smiles

Cc1nc(C)c(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1C(N)=O

InChI

InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)

Property Name	Value
Molecular Formula	C21H25N3O3
Molecular Weight	367.45
AlogP	3.61
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	106.17
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C21H25N3O3

Molecular Weight

367.45

AlogP

3.61

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

106.17

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
ChEMBL	CHEMBL4297354
FDA SRS	6QTJ9P2NYT
PubChem	42636350
SureChEMBL	SCHEMBL2252417
ZINC	ZINC000043206395

Resources

Reference

ChEMBL

FDA SRS

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

AZD-7687

Structure

Physicochemical Descriptors

Cross References