Details of the Drug

General Information of Drug (ID: DMQCW7V)

Drug Name

Tanaproget

Synonyms

Tanaproget; 304853-42-7; NSP-989; UNII-W9F9H8GXWR; W9F9H8GXWR; 5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile; T98; Tanaproget [USAN:INN]; 1zuc; NSP 989; Tanaproget (USAN/INN); AC1NA08O; SCHEMBL62188; CHEMBL539163; GTPL7416; DTXSID00184556; PYVFWTPEBMRKSR-UHFFFAOYSA-N; ZINC6245719; BDBM50375821; AKOS030526776; SB17247; DB04787; CS-1550; NSP-989;NSP 989;NSP989; HY-15606; KB-145966; FT-0735521; W-5758; D06003

Indication

Disease Entry	ICD 11	Status	REF
Estrogen deficiency	FB83.0Y	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

297.4

Topological Polar Surface Area (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H15N3OS
IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile
Canonical SMILES: CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C
InChI: InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
InChIKey: PYVFWTPEBMRKSR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4369524
CAS Number: 304853-42-7
DrugBank ID: DB04787
TTD ID: D0V9NE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Progesterone receptor (PGR)	TTUV8G9	PRGR_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Estrogen deficiency

ICD Disease Classification

FB83.0Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Progesterone receptor (PGR)	DTT	PGR	3.26E-38	-3.79	-2.5

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	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. (Ligand id: 7416).
2	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
3	Clinical pipeline report, company report or official report of lipocine.
4	Preclinical experience with two selective progesterone receptor modulators on breast and endometrium. Steroids. 2000 Oct-Nov;65(10-11):733-40.
5	Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
6	Pharmacological profile of progestins. Maturitas. 2008 Sep-Oct;61(1-2):151-7.
7	Focus on anastrozole and breast cancer. Curr Med Res Opin. 2003;19(8):683-8.
8	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
9	Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharm... Steroids. 2008 Feb;73(2):222-31.
10	Contribution of functional groups of 19-nor-progestogens to binding to progesterone and estradiol-17beta receptors in rabbit uterus. Endocrinology. 1977 Jun;100(6):1579-84.