INAVOLISIB

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Search structure


Synonyms	GDC-0077 GDC0077 Gdc-0077 Inavolisib RG-6114 RG6114 RO-7113755 RO7113755
Status
Molecule Category	Free-form
UNII	L4C1UY2NYH

Structure


InChI Key	SGEUNORSOZVTOL-CABZTGNLSA-N
Smiles	C[C@H](Nc1ccc2c(c1)OCCn1cc(N3C(=O)OC[C@H]3C(F)F)nc1-2)C(N)=O
InChI	InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H19F2N5O4
Molecular Weight	407.38
AlogP	1.82
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	111.71
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Pharmacology

Mechanism of Action	Action	Reference
PI3-kinase p110-alpha subunit inhibitor	INHIBITOR	Other Other Other Other

Target Conservation


Protein: PI3-kinase p110-alpha subunit Description: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Organism : Homo sapiens P42336 ENSG00000121879

Cross References

Resources	Reference
ChEMBL	CHEMBL4650215
FDA SRS	L4C1UY2NYH

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