Synonyms: | |
Status: | Approved (2017) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | L01EH02 |
UNII: | JJH94R3PWB |
InChI Key | JWNPDZNEKVCWMY-VQHVLOKHSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C30H29ClN6O3 |
Molecular Weight | 557.05 |
AlogP | 5.93 |
Hydrogen Bond Acceptor | 8.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 11.0 |
Polar Surface Area | 112.4 |
Molecular species | BASE |
Aromatic Rings | 4.0 |
Heavy Atoms | 40.0 |
Primary Target | |
---|---|
erb-b2 receptor tyrosine kinase 2 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Hemangiosarcoma | 2 | D006394 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
Carcinoma | 1 | D002277 | ClinicalTrials |
Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
Ovarian Neoplasms | 1 | D010051 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 698387-09-6 |
ChEBI | 61397 |
ChEMBL | CHEMBL180022 |
DrugBank | DB11828 |
DrugCentral | 5252 |
EPA CompTox | DTXSID70220132 |
FDA SRS | JJH94R3PWB |
Guide to Pharmacology | 5686 |
PubChem | 9915743 |
SureChEMBL | SCHEMBL571762 |
ZINC | ZINC000003916214 |