| Entry |
|
|---|
| Name |
Centanafadine hydrochloride (USAN) |
|---|
| Formula |
C15H15N. HCl
|
|---|
| Exact mass |
245.0971
|
|---|
| Mol weight |
245.7472
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG03059 Noradrenalin and dopamine reuptake inhibitor (NDRI)
|
|---|
| Remark |
|
|---|
| Efficacy |
Noradrenalin and dopamine reuptake inhibitor |
|---|
| Comment |
Treatment of attention deficit hyperactivity disorder (ADHD)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03059 Noradrenalin and dopamine reuptake inhibitor (NDRI)
DG01858 Centanafadine
D10698 Centanafadine hydrochloride
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D10698 Centanafadine hydrochloride (USAN)
SLC6A3 (DAT1)
D10698 Centanafadine hydrochloride (USAN)
SLC6A4 (HTT)
D10698 Centanafadine hydrochloride (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03059 Noradrenalin and dopamine reuptake inhibitor (NDRI)
DG01858 Centanafadine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 17
1 C8y C 22.9600 -17.1500
2 C8y C 22.9600 -18.5500
3 C8x C 21.7700 -19.2500
4 C8x C 20.5100 -18.5500
5 C8y C 20.5100 -17.1500
6 C8x C 21.7700 -16.4500
7 C1z C 19.3200 -16.4500
8 C1y C 17.9200 -16.4500
9 C1x C 18.6200 -17.6400
10 C1x C 19.7400 -15.1200
11 N1x N 18.6200 -14.2800
12 C1x C 17.4300 -15.1200
13 C8x C 24.1500 -19.2500
14 C8x C 25.3400 -18.5500
15 C8x C 25.3400 -17.1500
16 C8x C 24.1500 -16.4500
17 X Cl 28.0700 -17.9200
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 5 1 #Up
8 7 8 1
9 8 9 1
10 9 7 1
11 7 10 1
12 10 11 1
13 11 12 1
14 8 12 1
15 2 13 1
16 13 14 2
17 14 15 1
18 15 16 2
19 1 16 1
|
|---|
