Details
Stereochemistry | ACHIRAL |
Molecular Formula | C30H23N5O |
Molecular Weight | 469.5365 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(=O)N(C2=C1C=NC3=CC=C(C=C23)C4=CN=C5C=CC=CC5=C4)C6=CC=C(C=C6)C(C)(C)C#N
InChI
InChIKey=JOGKUKXHTYWRGZ-UHFFFAOYSA-N
InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
Molecular Formula | C30H23N5O |
Molecular Weight | 469.5365 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800026094
https://www.ncbi.nlm.nih.gov/pubmed/18606717
Curator's Comment: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800026094
https://www.ncbi.nlm.nih.gov/pubmed/18606717
Dactolisib is a dual inhibitor of phosphatidylinositol 3-kinase (P13K) and the downstream mammalian target of rapamycin (mTOR) by binding to the ATP-binding cleft of these enzymes (inhibitor of PI3K/Akt/mTOR cascade). It is being investigated as a possible anti-cancer cancer agent and drug against Influenza virus infections. Frequently reported adverse events included nausea, vomiting, diarrhoea, fatigue/asthenia, anaemia, and anorexia.
Originator
Sources: http://adisinsight.springer.com/drugs/800026094
Curator's Comment: https://www.google.com/patents/WO2006122806A2?cl=en # Novartis
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2842 |
21.0 nM [IC50] | ||
Target ID: CHEMBL4005 |
4.0 nM [IC50] | ||
Target ID: CHEMBL3145 |
76.0 nM [IC50] | ||
Target ID: CHEMBL3267 |
7.0 nM [IC50] | ||
Target ID: CHEMBL3130 |
5.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
PubMed
Title | Date | PubMed |
---|---|---|
Loss of Phosphatase and Tensin homologue deleted on chromosome 10 engages ErbB3 and insulin-like growth factor-I receptor signaling to promote antiestrogen resistance in breast cancer. | 2009 May 15 |
|
Inhibition profiles of phosphatidylinositol 3-kinase inhibitors against PI3K superfamily and human cancer cell line panel JFCR39. | 2010 Apr |
|
Identification of human triple-negative breast cancer subtypes and preclinical models for selection of targeted therapies. | 2011 Jul |
|
A cell-based screen identifies ATR inhibitors with synthetic lethal properties for cancer-associated mutations. | 2011 Jun |
|
Modulators of sensitivity and resistance to inhibition of PI3K identified in a pharmacogenomic screen of the NCI-60 human tumor cell line collection. | 2012 |
|
The synergistic interaction of MEK and PI3K inhibitors is modulated by mTOR inhibition. | 2012 Apr 10 |
|
Phosphatidylinositol 3-kinase/Akt signaling pathway activates the WNK-OSR1/SPAK-NCC phosphorylation cascade in hyperinsulinemic db/db mice. | 2012 Oct |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26851029
400 or 300 mg twice daily
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27542970
IC50 doses of dactolisib for P3 and U87 glioma cells were established at 12.7 nM and 15.8 nM, respectively.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:40:17 GMT 2023
by
admin
on
Fri Dec 15 15:40:17 GMT 2023
|
Record UNII |
RUJ6Z9Y0DT
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C2152
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
||
|
NCI_THESAURUS |
C129825
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
C531198
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
915019-65-7
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
100000170045
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
11977753
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
RUJ6Z9Y0DT
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
9545
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
71952
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
BEZ235
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
CHEMBL1879463
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
DTXSID10238599
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
DB11651
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
AB-105
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
SUB183868
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
751249
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY | |||
|
C74072
Created by
admin on Fri Dec 15 15:40:17 GMT 2023 , Edited by admin on Fri Dec 15 15:40:17 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
TARGET -> INHIBITOR | |||
|
TARGET -> INHIBITOR | |||
|
TARGET -> INHIBITOR |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |