Drug Information
Drug (ID: DG01504) and It's Reported Resistant Information
| Name |
CP-31398
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| Synonyms |
UNII-IN3WH41H3A; 259199-65-0; CP-31398; IN3WH41H3A; N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine; 1,3-Propanediamine, N3-[2-[2-(4-methoxyphenyl)ethenyl]-4-quinazolinyl]-N1,N1-dimethyl-; CP-31,398; CHEMBL186928; SCHEMBL13158851; SCHEMBL17890250; BDBM389561; ZINC3933040; US9951029, 12; Q27280804; N''-{2-[(E)-2-(4- methoxyphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylpropane-1,3- diamine
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| Structure |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Drug | |||||
| Formula |
8
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| IsoSMILES |
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC
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| InChI |
InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+
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| InChIKey |
NIHSNFSFDGHHRG-SDNWHVSQSA-N
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| PubChem CID | |||||
Type(s) of Resistant Mechanism of This Drug
ADTT: Aberration of the Drug's Therapeutic Target
Drug Resistance Data Categorized by Their Corresponding Diseases
ICD-02: Benign/in-situ/malignant neoplasm
Liver cancer [ICD-11: 2C12]
| Drug Sensitivity Data Categorized by Their Corresponding Mechanisms | |||||||||||||
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Aberration of the Drug's Therapeutic Target (ADTT)
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| Key Molecule: Cellular tumor antigen p53 (TP53) | [1] | ||||||||||||
| Sensitive Disease | Cholangiocarcinoma [ICD-11: 2C12.0] | ||||||||||||
| Molecule Alteration | Missense mutation | p.Y220C (c.659A>G) |
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| Wild Type Structure | Method: X-ray diffraction | Resolution: 2.05 Å | |||||||||||
| Mutant Type Structure | Method: X-ray diffraction | Resolution: 1.24 Å | |||||||||||
| Download The Information of Sequence | Download The Structure File | ||||||||||||
-
S
S
S
S
S
S
V
V
P
P
S
S
100
|
Q
Q
K
K
T
T
Y
Y
Q
Q
G
G
S
S
Y
Y
G
G
F
F
110
|
R
R
L
L
G
G
F
F
L
L
H
H
S
S
G
G
T
T
A
A
120
|
K
K
S
S
V
V
T
T
C
C
T
T
Y
Y
S
S
P
P
A
A
130
|
L
L
N
N
K
K
M
L
F
F
C
C
Q
Q
L
L
A
A
K
K
140
|
T
T
C
C
P
P
V
V
Q
Q
L
L
W
W
V
V
D
D
S
S
150
|
T
T
P
P
P
P
P
P
G
G
T
T
R
R
V
V
R
R
A
A
160
|
M
M
A
A
I
I
Y
Y
K
K
Q
Q
S
S
Q
Q
H
H
M
M
170
|
T
T
E
E
V
V
V
V
R
R
R
R
C
C
P
P
H
H
H
H
180
|
E
E
R
R
C
C
S
S
D
D
S
S
D
D
G
G
L
L
A
A
190
|
P
P
P
P
Q
Q
H
H
L
L
I
I
R
R
V
V
E
E
G
G
200
|
N
N
L
L
R
R
V
A
E
E
Y
Y
L
L
D
D
D
D
R
R
210
|
N
N
T
T
F
F
R
R
H
H
S
S
V
V
V
V
V
V
P
P
220
|
Y
C
E
E
P
P
P
P
E
E
V
V
G
G
S
S
D
D
C
C
230
|
T
T
T
T
I
I
H
H
Y
Y
N
N
Y
Y
M
M
C
C
N
Y
240
|
S
S
S
S
C
C
M
M
G
G
G
G
M
M
N
N
R
R
R
R
250
|
P
P
I
I
L
L
T
T
I
I
I
I
T
T
L
L
E
E
D
D
260
|
S
S
S
S
G
G
N
N
L
L
L
L
G
G
R
R
N
D
S
S
270
|
F
F
E
E
V
V
R
R
V
V
C
C
A
A
C
C
P
P
G
G
280
|
R
R
D
D
R
R
R
R
T
T
E
E
E
E
E
E
N
N
L
L
290
|
R
R
K
K
K
K
G
G
E
E
P
P
H
H
H
H
E
E
L
L
300
|
P
P
P
P
G
G
S
S
T
T
K
K
R
R
A
A
L
L
P
P
310
|
N
N
N
N
T
T
|
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| Experimental Note | Revealed Based on the Cell Line Data | ||||||||||||
| In Vitro Model | HepG2 cells | Liver | Homo sapiens (Human) | CVCL_0027 | |||||||||
| Experiment for Molecule Alteration |
qRT-PCR | ||||||||||||
| Key Molecule: Cellular tumor antigen p53 (TP53) | [1] | ||||||||||||
| Sensitive Disease | Cholangiocarcinoma [ICD-11: 2C12.0] | ||||||||||||
| Molecule Alteration | Missense mutation | p.R249S (c.747G>C) |
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| Wild Type Structure | Method: X-ray diffraction | Resolution: 1.92 Å | |||||||||||
| Mutant Type Structure | Method: X-ray diffraction | Resolution: 1.90 Å | |||||||||||
| Download The Information of Sequence | Download The Structure File | ||||||||||||
-
P
-
L
-
S
S
S
S
S
S
V
V
P
P
S
S
100
|
Q
Q
K
K
T
T
Y
Y
Q
Q
G
G
S
S
Y
Y
G
G
F
F
110
|
R
R
L
L
G
G
F
F
L
L
H
H
S
S
G
G
T
T
A
A
120
|
K
K
S
S
V
V
T
T
C
C
T
T
Y
Y
S
S
P
P
A
A
130
|
L
L
N
N
K
K
M
L
F
F
C
C
Q
Q
L
L
A
A
K
K
140
|
T
T
C
C
P
P
V
V
Q
Q
L
L
W
W
V
V
D
D
S
S
150
|
T
T
P
P
P
P
P
P
G
G
T
T
R
R
V
V
R
R
A
A
160
|
M
M
A
A
I
I
Y
Y
K
K
Q
Q
S
S
Q
Q
H
H
M
M
170
|
T
T
E
E
V
V
V
V
R
R
R
R
C
C
P
P
H
H
H
H
180
|
E
E
R
R
C
C
S
S
D
D
S
S
D
D
G
G
L
L
A
A
190
|
P
P
P
P
Q
Q
H
H
L
L
I
I
R
R
V
V
E
E
G
G
200
|
N
N
L
L
R
R
V
A
E
E
Y
Y
L
L
D
D
D
D
R
R
210
|
N
N
T
T
F
F
R
R
H
H
S
S
V
V
V
V
V
V
P
P
220
|
Y
Y
E
E
P
P
P
P
E
E
V
V
G
G
S
S
D
D
C
C
230
|
T
T
T
T
I
I
H
H
Y
Y
N
N
Y
Y
M
M
C
C
N
Y
240
|
S
S
S
S
C
C
M
M
G
G
G
G
M
M
N
N
R
R
R
S
250
|
P
P
I
I
L
L
T
T
I
I
I
I
T
T
L
L
E
E
D
D
260
|
S
S
S
S
G
G
N
N
L
L
L
L
G
G
R
R
N
D
S
S
270
|
F
F
E
E
V
V
R
R
V
V
C
C
A
A
C
C
P
P
G
G
280
|
R
R
D
D
R
R
R
R
T
T
E
E
E
E
E
E
N
N
L
L
290
|
R
R
K
K
K
K
G
G
E
E
P
P
H
H
H
H
E
E
L
L
300
|
P
P
P
P
G
G
S
S
T
T
K
K
R
R
A
A
L
L
P
P
310
|
N
N
N
N
T
T
H
-
H
-
H
-
H
-
H
-
H
-
|
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| Experimental Note | Revealed Based on the Cell Line Data | ||||||||||||
| In Vitro Model | HepG2 cells | Liver | Homo sapiens (Human) | CVCL_0027 | |||||||||
| Experiment for Molecule Alteration |
qRT-PCR | ||||||||||||
References
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