JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

N-(4-tert-butylphenethyl)-4-hydroxybenzamide

ID: ALA4204689

Chembl Id: CHEMBL4204689

PubChem CID: 145977071

Max Phase: Preclinical

Molecular Formula: C19H23NO2

Molecular Weight: 297.40

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2)cc1

Standard InChI: InChI=1S/C19H23NO2/c1-19(2,3)16-8-4-14(5-9-16)12-13-20-18(22)15-6-10-17(21)11-7-15/h4-11,21H,12-13H2,1-3H3,(H,20,22)

Standard InChI Key: ZKABDOARRBOORN-UHFFFAOYSA-N

ESRRG Tchem Estrogen-related receptor gamma (587 Activities)

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

ESRRA Tchem Estrogen-related receptor alpha (573 Activities)

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

ESRRB Tchem Estrogen-related receptor beta (173 Activities)

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

Alpha trans-inducing protein (VP16) (945 Activities)

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

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

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: 297.40	Molecular Weight (Monoisotopic): 297.1729	AlogP: 3.66	#Rotatable Bonds: 4
Polar Surface Area: 49.33	Molecular Species: NEUTRAL	HBA: 2	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 3	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 8.48	CX Basic pKa: ┄	CX LogP: 4.30	CX LogD: 4.27
Aromatic Rings: 2	Heavy Atoms: 22	QED Weighted: 0.90	Np Likeness Score: -0.68

1. Lin H, Doebelin C, Patouret R, Garcia-Ordonez RD, Chang MR, Dharmarajan V, Bayona CR, Cameron MD, Griffin PR, Kamenecka TM.. (2018) Design, synthesis, and evaluation of simple phenol amides as ERRγ agonists., 28 (8): [PMID:29548571] [10.1016/j.bmcl.2018.03.019]

Source(1):