EcoDrugPlus


Synonyms	Atevirdine Atevirdine mesilate Atevirdine mesylate Atevirdine methanesulfonate U-87201 U-87201E
Status
Molecule Category	Free-form
UNII	N24015WC6D
EPA CompTox	DTXSID40159940


InChI Key	UCPOMLWZWRTIAA-UHFFFAOYSA-N
Smiles	CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChI	InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3

Property Name	Value
Molecular Formula	C21H25N5O2
Molecular Weight	379.46
AlogP	2.97
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	73.49
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	140	-	-	92-92

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus	1	-	-	-	-
Human immunodeficiency virus 1	-	1	-	-	92

Resources	Reference
ChEMBL	CHEMBL280527
DrugBank	DB12264
FDA SRS	N24015WC6D
PubChem	60847
SureChEMBL	SCHEMBL356038
ZINC	ZINC000000597817

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

ATEVIRDINE MESYLATE

Structure

Physicochemical Descriptors

Pharmacology

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