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4-bromo-3-hydroxy-7-phenyl-2-naphthoic acid

ID: ALA4464605

Chembl Id: CHEMBL4464605

Cas Number: 1333110-86-3

PubChem CID: 66727815

Max Phase: Preclinical

Molecular Formula: C17H11BrO3

Molecular Weight: 343.18

Molecule Type: Unknown

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(O)c1cc2cc(-c3ccccc3)ccc2c(Br)c1O

Standard InChI: InChI=1S/C17H11BrO3/c18-15-13-7-6-11(10-4-2-1-3-5-10)8-12(13)9-14(16(15)19)17(20)21/h1-9,19H,(H,20,21)

Standard InChI Key: UISPFOJJZIPYLC-UHFFFAOYSA-N

Parent:

ALA4464605
4-Bromo-3-hydroxy-7-phenylnaphthalene-2-carboxylic acid

GRIN2D Tclin Glutamate [NMDA] receptor subunit epsilon 4 (26 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIN2B Tclin Glutamate [NMDA] receptor subunit epsilon 2 (467 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRIN2A Tclin Glutamate [NMDA] receptor subunit epsilon 1 (112 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 343.18	Molecular Weight (Monoisotopic): 341.9892	AlogP: 4.67	#Rotatable Bonds: 2
Polar Surface Area: 57.53	Molecular Species: ACID	HBA: 2	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 3	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 2.55	CX Basic pKa: ┄	CX LogP: 5.38	CX LogD: 1.87
Aromatic Rings: 3	Heavy Atoms: 21	QED Weighted: 0.71	Np Likeness Score: -0.04

1. Burnell ES, Irvine M, Fang G, Sapkota K, Jane DE, Monaghan DT.. (2018) Positive and Negative Allosteric Modulators of N-Methyl-d-aspartate (NMDA) Receptors: Structure-Activity Relationships and Mechanisms of Action., 62 (1): [PMID:29446949] [10.1021/acs.jmedchem.7b01640]

Source(1):