Name |
Demegestone (INN) |
Formula |
C21H28O2 |
Exact mass |
312.2089 |
Mol weight |
312.44 |
Structure |
|
Simcomp |
|
Class |
Hormonal agent DG02004 Progesterone DG01666 Progesterone receptor agonist |
Remark |
ATC code: G03DB05 |
Efficacy |
Anti-endometriosis, Menstruation disorder agent, Progesterone receptor agonist |
Comment |
Progestin, pregnadiene derivative |
Target |
NR3C3 (PGR) [HSA:5241] [KO:K08556] |
Pathway |
hsa04114 Oocyte meiosishsa04914 Progesterone-mediated oocyte maturationhsa04915 Estrogen signaling pathway |
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] G GENITO URINARY SYSTEM AND SEX HORMONES G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM G03D PROGESTOGENS G03DB Pregnadien derivatives G03DB05 Demegestone D07223 Demegestone (INN)Drug groups [BR:br08330] Hormonal agent DG02004 Progesterone D07223 Demegestone DG01666 Progesterone receptor agonist D07223 DemegestoneTarget-based classification of drugs [BR:br08310] Nuclear receptors Estrogen like receptors 3-Ketosteroid receptor NR3C3 (PGR) D07223 Demegestone (INN) |
Other DBs |
CAS: 10116-22-0PubChem: 51091561LigandBox: D07223NIKKAJI: J8.981H |
LinkDB |
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KCF data |
ATOM 23 1 C1x C 22.7500 -20.4400 2 C5x C 22.7500 -21.8400 3 C2x C 23.9400 -22.5400 4 C2y C 25.0600 -21.8400 5 C2y C 25.0600 -20.4400 6 C1x C 23.9400 -19.8100 7 C1x C 26.3200 -22.5400 8 C1x C 27.5100 -21.8400 9 C1y C 27.5100 -20.4400 10 C2y C 26.3200 -19.8100 11 C1y C 28.7000 -19.8100 12 C1z C 28.7000 -18.4800 13 C1x C 27.5100 -17.7800 14 C1x C 26.3200 -18.4800 15 O5x O 21.5600 -22.5400 16 C1a C 28.7000 -17.0800 17 C1x C 31.0800 -19.8100 18 C1x C 31.0800 -18.4800 19 C1z C 29.8900 -17.7800 20 C5a C 29.8900 -16.3800 21 O5a O 28.6300 -15.6800 22 C1a C 31.0800 -15.7500 23 C1a C 31.1500 -17.2200BOND 26 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 1 6 1 7 4 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 5 10 2 12 9 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 10 14 1 17 2 15 2 18 12 16 1 #Up 19 11 17 1 20 17 18 1 21 18 19 1 22 12 19 1 23 19 20 1 #Up 24 20 21 2 25 20 22 1 26 19 23 1 #Down |