Details of the Drug

General Information of Drug (ID: DM3GQN2)

Drug Name

2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol

Synonyms

CHEMBL189077; 2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol; 2-(6-hydroxynaphthalen-1-yl)benzo[d]oxazol-6-ol; SCHEMBL3926798; ZRGCERZQAHMXNC-UHFFFAOYSA-N; BDBM50154135; 595566-69-1; 6-Benzoxazolol,2-(6-hydroxy-1-naphthalenyl)-

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

277.27

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H11NO3
IUPAC Name: 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
Canonical SMILES: C1=CC2=C(C=CC(=C2)O)C(=C1)C3=NC4=C(O3)C=C(C=C4)O
InChI: InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-7-5-12(20)9-16(15)21-17/h1-9,19-20H
InChIKey: ZRGCERZQAHMXNC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10062042
TTD ID: D0YH4T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J Med Chem. 2004 Oct 7;47(21):5021-40.