None is not found in the database.

CABOTEGRAVIR


Synonyms	Cabotegravir GSK-1265744A GSK1265744 GSK1265744A GSK744 Gsk-1265744 Gsk744 S-265744
Status
Molecule Category	Free-form
ATC	J05AJ04
UNII	HMH0132Z1Q
EPA CompTox	DTXSID50146982


InChI Key	WCWSTNLSLKSJPK-LKFCYVNXSA-N
Smiles	C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
InChI	InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1

Property Name	Value
Molecular Formula	C19H17F2N3O5
Molecular Weight	405.36
AlogP	0.96
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	100.87
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 integrase inhibitor	INHIBITOR	EMA PubMed FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	3	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus	-	0.5-30	-	-	-
Human immunodeficiency virus 1	-	0.2-3	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	172944
ChEMBL	CHEMBL2403238
DrugBank	DB11751
FDA SRS	HMH0132Z1Q
PubChem	54713659
SureChEMBL	SCHEMBL82803
ZINC	ZINC000096927633

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

CABOTEGRAVIR

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References