Details of the Drug

General Information of Drug (ID: DMSLNWA)

Drug Name

WAY-255348

Synonyms

WAY-255348; 872141-23-6; CHEMBL407848; WAY255348; KIOOLNRTWPFVHX-UHFFFAOYSA-N; GTPL8664; SCHEMBL1537222; BCP21063; ZINC29133439; BDBM50375827; WAY 255348; SB18886; KB-81484; 5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

283.3

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14FN3O
IUPAC Name: 5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
Canonical SMILES: CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C)C#N)F)NC1=O)C
InChI: InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
InChIKey: KIOOLNRTWPFVHX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11543746
TTD ID: D0G5OV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor messenger RNA (AR mRNA)	TTKPW01	ANDR_HUMAN	Inhibitor	[2]
Mineralocorticoid receptor (MR)	TT26PHO	MCR_HUMAN	Inhibitor	[2]
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

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Mineralocorticoid receptor (MR)	DTT	NR3C2	7.31E-01	-5.31E-04	-1.53E-03

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: 8664).
2	Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-... J Med Chem. 2008 Mar 27;51(6):1861-73.