General
Preferred name
inavolisib
Synonyms
GDC-0077 ()
RG6114 ()
GDC0077 ()
RG-6114 ()
RO-7113755 ()
RO7113755 ()
Inavolisib (GDC-0077) ()
RG6114, RO-7113755 ()
P&D ID
PD060742
CAS
2060571-02-8
Tags
available
drug
Drug indication
Breast cancer
Solid tumour/cancer
Drug Status
approved
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Inavolisib (GDC-0077) is a potent and selective, orally available PI3K-p110α (PIK3CA) inhibitor, with antineoplastic activity . It is example 101 in patent US20170015678 (where it is named (S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin-3-yl)-5,6- dihydrobenzo[f]imidazo[1,2- d][1,4]oxazepin-9- yl)amino)propanamide) . GDC-0077 is one of the agents in Genentech's oncology discovery pipeline. Inavolisib's mechanism of action includes the ability to target oncogenic mutant PI3K-p110α for degradation, in addition to its enzyme inhibitory activity . (GtoPdb)
Cell lines
2
Organisms
0
Compound Sets
10
Cayman Chemical Bioactives
37576
ChEMBL Drugs
CHEMBL4650215
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB15275
DrugMAP
DMY6WUV
Guide to Pharmacology
9636
MedChem Express Bioactive Compound Library
HY-101562
PKIDB
Selleckchem Bioactive Compound Library
gdc-0077
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
407.14
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
1.82
TPSA
111.71
Fraction CSP3
0.39
Chiral centers
2.0
Largest ring
7.0
QED
0.78
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
PI3K inhibitor
Pathway
Apoptosis
PI3K/Akt/mTOR
Target
PI3K
Source data