Entry |
|
Name |
Mavorixafor (USAN) |
Formula |
C21H27N5
|
Exact mass |
349.2266
|
Mol weight |
349.4726
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antineoplastic, Chemokine receptor type 4 (CXCR4) antagonist |
Comment |
leukocyte mobilization
|
Target |
|
Pathway |
hsa04060 | Cytokine-cytokine receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CXCR4 (CD184)
D11510 Mavorixafor (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 C1b C 25.6200 -12.7400
2 C1b C 26.8324 -13.4400
3 N1a N 28.0279 -12.7496
4 C1b C 24.4076 -13.4400
5 C1b C 23.2121 -12.7496
6 N1c N 22.0247 -13.4351
7 C1b C 20.8335 -12.7471
8 C8y C 19.6440 -13.4338
9 C1y C 22.0245 -14.8398
10 C1x C 20.8312 -15.5288
11 C1x C 20.8312 -16.9288
12 C1x C 22.0436 -17.6288
13 C8y C 23.2370 -16.9398
14 C8y C 23.2370 -15.5398
15 C8x C 24.4494 -17.6398
16 C8x C 25.6619 -16.9398
17 C8x C 25.6618 -15.5398
18 N5x N 24.4494 -14.8398
19 N5x N 18.3891 -12.8749
20 C8y C 17.4698 -13.8957
21 C8y C 18.1565 -15.0855
22 N4x N 19.5003 -14.8000
23 C8x C 16.0698 -13.8956
24 C8x C 15.3697 -15.1079
25 C8x C 16.0564 -16.2977
26 C8x C 17.4564 -16.2978
BOND 29
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 9 6 1 #Down
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 9 14 1
15 13 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 14 18 2
20 8 19 2
21 19 20 1
22 20 21 1
23 21 22 1
24 8 22 1
25 20 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 21 26 2
|