TESTOLACTONE

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Search structure


Trade Names	TESLAC
Synonyms	Fludestrin NSC-23759 SQ 9538 SQ-9538 Teolit Teslac Testolactone Testolactone ciii
Status
Molecule Category	UNKNOWN
UNII	6J9BLA949Q
EPA CompTox	DTXSID2023644


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	BPEWUONYVDABNZ-DZBHQSCQSA-N
Smiles	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12
InChI	InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H24O3
Molecular Weight	300.4
AlogP	3.59
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	43.37
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	22.0

Bioactivity

Mechanism of Action	Action	Reference
Cytochrome P450 19A1 inhibitor	INHIBITOR	FDA


Protein: Cytochrome P450 19A1 Description: Aromatase Organism : Homo sapiens P11511 ENSG00000137869

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1	-	-	-	35000	16-22

Assay Description	Organism	Bioactivity	Reference
Percent inhibition of human placental Cytochrome P450 19A1 at 3:1 inhibitor: androstenedione (0.7 uM) ratio	Rattus norvegicus	16.0 %
Percent inhibition of human placental Cytochrome P450 19A1 at 6:1 inhibitor: androstenedione (0.7 uM) ratio	Rattus norvegicus	22.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	5.9 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	14.11 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.06 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.06 %

Related Entries

Cross References

Resources	Reference
ChEBI	9460
ChEMBL	CHEMBL1571
DrugBank	DB00894
DrugCentral	2606
FDA SRS	6J9BLA949Q
Human Metabolome Database	HMDB0015031
Guide to Pharmacology	7303
KEGG	C02197
PharmGKB	PA164743056
PubChem	13769
SureChEMBL	SCHEMBL4053
ZINC	ZINC000004081771

CONTENTS

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).