General
Preferred name
CGI-1842
Synonyms
JI 101 ()
JI-101 ()
JI101 ()
JI-101 ()
Angiogenesis inhibitor ji-101 ()
P&D ID
PD052545
CAS
900573-88-8
Tags
natural product
drug candidate
available
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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 JI-101 is an orally active inhibitor of vascular endothelial growth factor receptor 2 (VEGFR2), platelet-derived growth factor receptor beta (PDGFRb), and the ephrin B4 receptor B4 (EphB4) with potential antiangiogenic and antineoplastic activities. Angiogenesis inhibitor JI-101 binds to and inhibits VEGFR2, PDGFRb and EphB4, which may inhibit tumor angiogenesis and, so, cellular proliferation in tumor cells overexpressing VEGFR2, PDGFRb and EphB4. The receptor tyrosine kinases VEGFR2, PDGFRb and EphB4 may be overexpressed in a number of different cancer cell types and may play crucial roles in tumor angiogenesis. (BOC Sciences Bioactive Compounds)
Compound Sets
9
BOC Sciences Bioactive Compounds
ji-101-cas-900573-88-8-462546
Cayman Chemical Bioactives
36405
ChEMBL Drugs
CHEMBL3545155
Drug Repurposing Hub
DrugBank
DB12744
DrugMAP
DMM02VJ
MedChem Express Bioactive Compound Library
HY-16265
ReFrame library
TargetMol Bioactive Compound Library
T3476
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
465.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
4
cLogP
5.08
TPSA
94.2
Fraction CSP3
0.09
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Angiogenesis
Tyrosine Kinase/Adaptors
Chromatin/Epigenetic
Protein Tyrosine Kinase/RTK
Target
Ephrin Receptor
PDGFR
VEGFR
MOA
kinase inhibitor
Source data