TEMSAVIR


Synonyms	BMS-626529 Temsavir
Status
Molecule Category	Free-form
UNII	4B6J53W8N3
EPA CompTox	DTXSID20462146


InChI Key	QRPZBKAMSFHVRW-UHFFFAOYSA-N
Smiles	COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChI	InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3

Property Name	Value
Molecular Formula	C24H23N7O4
Molecular Weight	473.49
AlogP	1.63
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	126.31
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	35.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	17.4
Surface antigen	-	-	0.83	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	17.4
Human immunodeficiency virus 1	0.1-57.6	4.59-400	0.83-0.83	-	-
Human immunodeficiency virus type 1	-	-	-	-	100-100

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEMBL	CHEMBL3301620
DrugBank	DB14675
FDA SRS	4B6J53W8N3
PDB	83J
PubChem	11317439
SureChEMBL	SCHEMBL760768
ZINC	ZINC000034815611

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...

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Last update: Monday, 3 November 2025

TEMSAVIR

Structure

Physicochemical Descriptors

Pharmacology

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