Details of the Drug

General Information of Drug (ID: DMBMRUI)

Drug Name

6-ethyl-2,4-diisobutylaminopyrimidine

Synonyms

CHEMBL484451; 6-ethyl-2,4-diisobutylaminopyrimidine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

250.38

Topological Polar Surface Area (xlogp)

4.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H26N4
IUPAC Name: 6-ethyl-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
Canonical SMILES: CCC1=CC(=NC(=N1)NCC(C)C)NCC(C)C
InChI: InChI=1S/C14H26N4/c1-6-12-7-13(15-8-10(2)3)18-14(17-12)16-9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16,17,18)
InChIKey: MQGNVQNFJZWUAO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Blocking estrogen signaling after the hormone: pyrimidine-core inhibitors of estrogen receptor-coactivator binding. J Med Chem. 2008 Oct 23;51(20):6512-30.
2	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.
3	Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
6	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).
7	Clinical pipeline report, company report or official report of Shionogi (2011).
8	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.