Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
5.25 |
12.37 |
-13.57 |
1 |
7 |
0 |
72 |
482.371 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FGFR1-1-E |
Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
99 |
0.30 |
Binding ≤ 10μM
|
LCK-1-E |
Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
5 |
0.35 |
Binding ≤ 10μM
|
PGFRA-1-E |
Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
636 |
0.26 |
Binding ≤ 10μM
|
PGFRB-1-E |
Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
636 |
0.26 |
Binding ≤ 10μM
|
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
8 |
0.34 |
Binding ≤ 10μM
|
Z80152-1-O |
HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other |
Other |
1530 |
0.25 |
Functional ≤ 10μM
|
Z80166-1-O |
HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other |
Other |
200 |
0.28 |
Functional ≤ 10μM
|
Z80852-3-O |
A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other |
Other |
245 |
0.28 |
Functional ≤ 10μM
|
Z80951-1-O |
NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other |
Other |
170 |
0.29 |
Functional ≤ 10μM
|
Z81331-1-O |
SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other |
Other |
530 |
0.27 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FGFR1_HUMAN |
P11362
|
Fibroblast Growth Factor Receptor 1, Human |
100 |
0.30 |
Binding ≤ 1μM
|
PGFRA_HUMAN |
P16234
|
Platelet-derived Growth Factor Receptor Alpha, Human |
636 |
0.26 |
Binding ≤ 1μM
|
PGFRB_HUMAN |
P09619
|
Platelet-derived Growth Factor Receptor Beta, Human |
636 |
0.26 |
Binding ≤ 1μM
|
PGFRB_MOUSE |
P05622
|
Platelet-derived Growth Factor Receptor Beta, Mouse |
640 |
0.26 |
Binding ≤ 1μM
|
LCK_HUMAN |
P06239
|
Tyrosine-protein Kinase LCK, Human |
5 |
0.35 |
Binding ≤ 1μM
|
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
8 |
0.34 |
Binding ≤ 1μM
|
FGFR1_HUMAN |
P11362
|
Fibroblast Growth Factor Receptor 1, Human |
100 |
0.30 |
Binding ≤ 10μM
|
PGFRA_HUMAN |
P16234
|
Platelet-derived Growth Factor Receptor Alpha, Human |
636 |
0.26 |
Binding ≤ 10μM
|
PGFRB_MOUSE |
P05622
|
Platelet-derived Growth Factor Receptor Beta, Mouse |
640 |
0.26 |
Binding ≤ 10μM
|
PGFRB_HUMAN |
P09619
|
Platelet-derived Growth Factor Receptor Beta, Human |
636 |
0.26 |
Binding ≤ 10μM
|
LCK_HUMAN |
P06239
|
Tyrosine-protein Kinase LCK, Human |
5 |
0.35 |
Binding ≤ 10μM
|
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
8 |
0.34 |
Binding ≤ 10μM
|
Z80852 |
Z80852
|
A-431 (Epidermoid Carcinoma Cells) |
245 |
0.28 |
Functional ≤ 10μM
|
Z80152 |
Z80152
|
HCT-8 (Ileocecal Adenocarcinoma) |
1260 |
0.25 |
Functional ≤ 10μM
|
Z80166 |
Z80166
|
HT-29 (Colon Adenocarcinoma Cells) |
1210 |
0.25 |
Functional ≤ 10μM
|
Z80951 |
Z80951
|
NIH3T3 (Fibroblasts) |
170 |
0.29 |
Functional ≤ 10μM
|
Z81331 |
Z81331
|
SW-620 (Colon Adenocarcinoma Cells) |
170 |
0.29 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
CD28 co-stimulation |
|
CD28 dependent PI3K/Akt signaling |
|
CD28 dependent Vav1 pathway |
|
Constitutive PI3K/AKT Signaling in Cancer |
|
CTLA4 inhibitory signaling |
|
DAP12 signaling |
|
Downstream signal transduction |
|
Downstream TCR signaling |
|
Generation of second messenger molecules |
|
GPVI-mediated activation cascade |
|
Interleukin-2 signaling |
|
Nef and signal transduction |
|
Nef Mediated CD4 Down-regulation |
|
PD-1 signaling |
|
PECAM1 interactions |
|
Phosphorylation of CD3 and TCR zeta chains |
|
PIP3 activates AKT signaling |
|
Regulation of KIT signaling |
|
Signaling by activated point mutants of FGFR1 |
|
Signaling by ERBB2 |
|
Signaling by FGFR mutants |
|
Signaling by PDGF |
|
Signaling by SCF-KIT |
|
Translocation of ZAP-70 to Immunological synapse |
|
No pre-computed analogs available. Try a structural similarity search.