KEGG DRUG: Demegestone (original) (raw)

Entry D07223 Drug
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
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