|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1760 |
0.35 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1760 |
0.35 |
Binding ≤ 10μM
|
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)
|
3.81 |
10.04 |
-47.55 |
4 |
7 |
1 |
86 |
375.254 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
3.81 |
8.67 |
-9.62 |
3 |
7 |
0 |
82 |
374.246 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1400 |
0.33 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1400 |
0.33 |
Binding ≤ 10μM
|
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)
|
2.96 |
10.13 |
-51.27 |
4 |
10 |
1 |
132 |
341.355 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.96 |
8.76 |
-12.21 |
3 |
10 |
0 |
128 |
340.347 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2550 |
0.30 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
2550 |
0.30 |
Binding ≤ 10μM
|
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)
|
3.39 |
7.44 |
-12.14 |
3 |
8 |
0 |
93 |
353.43 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.39 |
9.75 |
-40.95 |
4 |
8 |
1 |
94 |
354.438 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1330 |
0.30 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1330 |
0.30 |
Binding ≤ 10μM
|
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)
|
3.02 |
6.07 |
-13.03 |
3 |
9 |
0 |
102 |
369.429 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.02 |
8.36 |
-40.96 |
4 |
9 |
1 |
104 |
370.437 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
260 |
0.32 |
Binding ≤ 10μM |
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)
|
1.66 |
1.73 |
-18.56 |
5 |
11 |
0 |
153 |
418.483 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
1.66 |
4.04 |
-46.56 |
6 |
11 |
1 |
155 |
419.491 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
340 |
0.31 |
Binding ≤ 10μM |
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)
|
1.63 |
1.73 |
-18.09 |
5 |
11 |
0 |
153 |
418.483 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
1.63 |
4.04 |
-50.93 |
6 |
11 |
1 |
155 |
419.491 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1220 |
0.30 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1220 |
0.30 |
Binding ≤ 10μM
|
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)
|
1.78 |
3.58 |
-18.23 |
5 |
10 |
0 |
136 |
382.428 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
1.78 |
5.87 |
-44.65 |
6 |
10 |
1 |
137 |
383.436 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
780 |
0.31 |
Binding ≤ 10μM |
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)
|
2.92 |
7.48 |
-14.04 |
3 |
11 |
0 |
139 |
384.4 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.92 |
9.79 |
-44.32 |
4 |
11 |
1 |
140 |
385.408 |
6 |
↓
|
|
|
Analogs
-
3976308
-
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1180 |
0.36 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1180 |
0.36 |
Binding ≤ 10μM
|
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)
|
3.68 |
9.93 |
-47.63 |
4 |
7 |
1 |
86 |
330.803 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
3.68 |
8.57 |
-9.72 |
3 |
7 |
0 |
82 |
329.795 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2200 |
0.32 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
2200 |
0.32 |
Binding ≤ 10μM
|
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)
|
1.82 |
6.22 |
-51.43 |
6 |
9 |
1 |
129 |
339.383 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
4.83 |
-15.32 |
5 |
9 |
0 |
125 |
338.375 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1050 |
0.32 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1050 |
0.32 |
Binding ≤ 10μM
|
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)
|
2.22 |
8.35 |
-51.82 |
5 |
9 |
1 |
115 |
353.41 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.22 |
6.97 |
-16.27 |
4 |
9 |
0 |
111 |
352.402 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2430 |
0.33 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
2430 |
0.33 |
Binding ≤ 10μM
|
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)
|
3.06 |
8.7 |
-48.14 |
4 |
8 |
1 |
96 |
326.384 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.06 |
7.34 |
-11.38 |
3 |
8 |
0 |
91 |
325.376 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC-1-E |
Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1210 |
0.35 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SRC_HUMAN |
P12931
|
Tyrosine-protein Kinase SRC, Human |
1210 |
0.35 |
Binding ≤ 10μM
|
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)
|
3.03 |
8.71 |
-50.41 |
4 |
8 |
1 |
96 |
326.384 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.03 |
7.35 |
-11.76 |
3 |
8 |
0 |
91 |
325.376 |
4 |
↓
|
|