GANETESPIB

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Search structure


Synonyms	Ganetespib STA 9090 STA-9090
Status
Molecule Category	Free-form
UNII	2E8412Y946

Structure


InChI Key	RVAQIUULWULRNW-UHFFFAOYSA-N
Smiles	CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O
InChI	InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H20N4O3
Molecular Weight	364.41
AlogP	3.25
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	96.07
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Heat shock protein HSP90 inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Other cytosolic protein	-	5-63	-	-	-
Other membrane protein	-	10-37.7	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	10	-	-	-
Homo sapiens	-	5-63	-	-	-

Target Conservation


Protein: Heat shock protein HSP90 Description: Heat shock protein HSP 90-alpha Organism : Homo sapiens P07900 ENSG00000080824














Protein: Heat shock protein HSP90 Description: Heat shock protein HSP 90-beta Organism : Homo sapiens P08238 ENSG00000096384

Cross References

Resources	Reference
ChEMBL	CHEMBL2103879
DrugBank	DB12047
FDA SRS	2E8412Y946
PDB	TUH
PubChem	135564985
SureChEMBL	SCHEMBL419750
ZINC	ZINC000043130413

CONTENTS

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