| Entry |
|
|---|
| Name |
Glasdegib (USAN/INN) |
|---|
| Formula |
C21H22N6O
|
|---|
| Exact mass |
374.1855
|
|---|
| Mol weight |
374.439
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01566 Smoothened (Smo) antagonist
|
|---|
| Remark |
| Product (DG02912): | D11107<US> |
|
|---|
| Efficacy |
Antineoplastic, Smoothened receptor antagonist |
|---|
| Comment |
Headgehog singaling inhibitor
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX63 Glasdegib
D10636 Glasdegib (USAN/INN)
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Glasdegib
D10636 Glasdegib (USAN/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Frizzled / Smoothened family
Smoothened
SMO
D10636 Glasdegib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1y C 17.9200 -15.5400
2 C8x C 12.1800 -14.8400
3 C8x C 12.1800 -16.2400
4 C8x C 13.3700 -16.9400
5 C8y C 14.6300 -16.2400
6 C8y C 14.6300 -14.8400
7 C8x C 13.3700 -14.1400
8 N4x N 15.9600 -16.6600
9 C8y C 16.7300 -15.5400
10 N5x N 15.9600 -14.4200
11 C1x C 18.6200 -16.7300
12 C1y C 20.0200 -16.7300
13 C1x C 20.7200 -15.5400
14 C1x C 20.0200 -14.3500
15 N1y N 18.6200 -14.3500
16 N1b N 20.7200 -17.9900
17 C5a C 22.1200 -17.9900
18 O5a O 22.8200 -16.7300
19 N1b N 22.8200 -19.1800
20 C8y C 24.2200 -19.1800
21 C8x C 24.9200 -20.3700
22 C8x C 26.3200 -20.3700
23 C8y C 27.0200 -19.1800
24 C8x C 26.3200 -17.9900
25 C8x C 24.9200 -17.9900
26 C3b C 28.4200 -19.1800
27 N3a N 29.8200 -19.1800
28 C1a C 17.9200 -13.0900
BOND 31
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 8 9 1
9 9 10 2
10 6 10 1
11 1 9 1 #Down
12 1 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 1 15 1
18 12 16 1 #Up
19 16 17 1
20 17 18 2
21 17 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 23 26 1
30 26 27 3
31 15 28 1
|
|---|
