| Entry |
|
|---|
| Name |
Iclepertin (JAN/USAN/INN) |
|---|
| Formula |
C20H18F6N2O5S
|
|---|
| Exact mass |
512.0841
|
|---|
| Mol weight |
512.42
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsychotic, Glycine transporter inhibitor |
|---|
| Comment |
Treatment of cognitive impairment associated with schizophrenia (CIAS) and the treatment of Alzheimer's disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A9 (GLYT1)
D12527 Iclepertin (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C5a C 36.4000 -17.1500
2 C8y C 35.2100 -16.4500
3 N1y N 37.5900 -16.4500
4 O5a O 36.4000 -18.5500
5 C8y C 35.2100 -15.0500
6 C8x C 33.9500 -14.3500
7 C8x C 32.7600 -15.0500
8 C8y C 32.7600 -16.4500
9 C8x C 33.9500 -17.1500
10 C1x C 38.8500 -17.0100
11 C1z C 39.8300 -15.9600
12 C1y C 39.1300 -14.7700
13 C1x C 37.7300 -15.0500
14 C1x C 40.5300 -14.7700
15 C8y C 41.0200 -16.6600
16 N5x N 41.0200 -18.0600
17 O2x O 42.3500 -18.4800
18 C8y C 43.1900 -17.3600
19 C8x C 42.3500 -16.2400
20 C1d C 44.5900 -17.3600
21 X F 45.9900 -17.3600
22 X F 44.5900 -18.7600
23 X F 44.5900 -15.9600
24 O2a O 36.4166 -14.3400
25 C1c C 36.4166 -12.9400
26 C1d C 37.6123 -12.2497
27 C1a C 35.1962 -12.2353
28 X F 38.8078 -11.5594
29 X F 36.9123 -11.0373
30 X F 38.3123 -13.4622
31 S4a S 31.5447 -17.1451
32 C1a C 30.3323 -17.8451
33 O3c O 30.8447 -15.9326
34 O3c O 32.2447 -18.3575
BOND 37
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 2 9 1
10 3 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 3 13 1
15 14 12 1
16 11 14 1
17 11 15 1 #Up
18 15 16 2
19 16 17 1
20 17 18 1
21 18 19 2
22 15 19 1
23 18 20 1
24 20 21 1
25 20 22 1
26 20 23 1
27 5 24 1
28 24 25 1
29 25 26 1
30 25 27 1 #Down
31 26 28 1
32 26 29 1
33 26 30 1
34 8 31 1
35 31 32 1
36 31 33 2
37 31 34 2
|
|---|
