Details of the Drug

General Information of Drug (ID: DMGX08C)

Drug Name

ERB-196

Synonyms

WAY-196; WAY-202196; Estrogen receptor beta agonist (oral, inflammation/sepsis), Wyeth

Indication

Disease Entry	ICD 11	Status	REF
Inflammatory bowel disease	DD72	Discontinued in Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

279.26

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H10FNO2
IUPAC Name: 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
Canonical SMILES: C1=CC(=CC2=C(C=C(C=C21)C3=CC(=C(C=C3)O)F)C#N)O
InChI: InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
InChIKey: NSSOSHDCWCMNDM-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Inflammatory bowel disease

ICD Disease Classification

DD72

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Estrogen receptor beta (ESR2)	DTT	ESR2	2.09E-01	-0.06	-0.17

Molecular Expression Atlas (MEA)

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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 800021229)
2	WAY-202196, a selective estrogen receptor-beta agonist, protects against death in experimental septic shock. Crit Care Med. 2006 Aug;34(8):2188-93.