EcoDrugPlus


Synonyms	AZD-9639 BTA9881 Bta-9881 Bta9881 MEDI-564 Medi 564
Status
Molecule Category	Free-form
UNII	9VR1J6U4XG

Synonyms

AZD-9639

BTA9881

Bta-9881

Bta9881

MEDI-564

Medi 564

Status

Molecule Category

Free-form

UNII

9VR1J6U4XG


InChI Key	QZSZPSDRJPPZDZ-OAQYLSRUSA-N
Smiles	O=C(c1cccnc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1
InChI	InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m1/s1

InChI Key

QZSZPSDRJPPZDZ-OAQYLSRUSA-N

Smiles

O=C(c1cccnc1)N1CCN2C(=O)c3ccncc3[C@]12c1ccc(Cl)cc1

InChI

InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m1/s1

Property Name	Value
Molecular Formula	C21H15ClN4O2
Molecular Weight	390.83
AlogP	2.94
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	66.4
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C21H15ClN4O2

Molecular Weight

390.83

AlogP

2.94

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

66.4

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

28.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Respiratory syncytial virus	48-160	-	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Respiratory syncytial virus

48-160

Resources	Reference
ChEMBL	CHEMBL3393588
FDA SRS	9VR1J6U4XG
PubChem	70807574
SureChEMBL	SCHEMBL12957286
ZINC	ZINC000115087173

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

BTA-9881

Structure

Physicochemical Descriptors

Pharmacology

Cross References