Entry |
|
Name |
Pimicotinib hydrochloride (USAN); Pimicotinib hydrochloride hydrate |
Formula |
C22H24N6O3. HCl. H2O
|
Exact mass |
474.1782
|
Mol weight |
474.94
|
Structure |

|
Remark |
|
Efficacy |
Anti-inflammatory, Antineoplastic, Macrophage colony-stimulating factor receptor antagonist |
Target |
|
Pathway |
hsa04060 | Cytokine-cytokine receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
CSF and other factor receptors
CSF1R (FMS, CD115)
D12939 Pimicotinib hydrochloride (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 33
1 O2a O 19.2456 -18.4058
2 C8y C 18.0559 -17.7060
3 C8x C 18.0559 -16.3063
4 C8x C 16.7962 -15.6065
5 C8y C 15.6065 -16.3063
6 N5x N 15.6065 -17.7060
7 C8y C 16.7962 -18.4058
8 N1b N 14.4167 -15.6065
9 C5a C 14.4167 -14.2068
10 O5a O 15.6065 -13.5069
11 N1y N 13.2270 -13.5069
12 C1x C 12.8071 -12.1772
13 C1x C 11.4074 -12.1772
14 C1z C 10.9175 -13.5069
15 C5x C 12.0373 -14.3468
16 C1a C 16.7962 -19.8055
17 O5x O 12.0373 -15.7464
18 C1a C 9.5878 -13.9268
19 C1a C 9.9377 -12.4572
20 C8y C 20.5054 -17.7060
21 C8x C 20.5054 -16.3063
22 C8x C 21.6951 -18.4058
23 C8y C 22.9548 -17.7060
24 N5x N 22.9548 -16.3063
25 C8x C 21.6951 -15.6065
26 C8y C 24.1445 -18.4058
27 C8x C 24.5644 -19.7355
28 N5x N 25.9641 -19.6655
29 N4y N 26.3840 -18.3358
30 C8x C 25.2643 -17.5660
31 C1a C 27.6437 -17.9159
32 X Cl 27.5800 -12.8800
33 O0 O 28.0700 -14.7000
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 2
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 11 15 1
17 7 16 1
18 15 17 2
19 14 18 1
20 14 19 1
21 1 20 1
22 21 20 2
23 20 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 21 25 1
28 23 26 1
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 1
33 26 30 2
34 29 31 1
|