Details of the Drug

General Information of Drug (ID: DMTE18G)

Drug Name
CHF-4227
Synonyms CHF-3316; CHF-4056; SERMs, Chiesi; Selective estrogen receptor modulators, Chiesi; CHF-3316.01
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 471.6
Topological Polar Surface Area (xlogp) 5.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C30H33NO4
IUPAC Name
3-(4-methoxyphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2H-chromen-7-ol
Canonical SMILES
COC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2)CC4=CC=C(C=C4)OCCN5CCCCC5
InChI
InChI=1S/C30H33NO4/c1-33-25-12-7-23(8-13-25)29-21-35-30-20-24(32)9-14-27(30)28(29)19-22-5-10-26(11-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,20,32H,2-4,15-19,21H2,1H3
InChIKey
ZUDXUNPSRMREOJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9912639
CAS Number
444643-64-5
TTD ID
D08OUV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016760)
2 Pharmacological actions of a novel, potent, tissue-selective benzopyran estrogen. J Pharmacol Exp Ther. 2002 Oct;303(1):196-203.
3 Modulators of vascular sex hormone receptors and their effects in estrogen-deficiency states associated with menopause. Recent Pat Cardiovasc Drug Discov. 2008 Nov;3(3):165-86.
4 Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
5 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
7 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 620).
8 Clinical pipeline report, company report or official report of Shionogi (2011).
9 Effect of selective estrogen receptor modulators on cell proliferation and estrogen receptor activities in normal human prostate stromal and epithe... Prostate Cancer Prostatic Dis. 2009;12(4):375-81.