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

྾

Home
Compounds
ALA28250

2,3,4,4'-TETRAMETHOXYBIPHENYL

ID: ALA28250

Max Phase: Preclinical

Molecular Formula: C16H18O4

Molecular Weight: 274.32

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Representations

Synonyms (1): 2,3,4,4'-Tetramethoxy-Biphenyl
Synonyms from Alternative Forms(1):

Canonical SMILES: COc1ccc(-c2ccc(OC)c(OC)c2OC)cc1

Standard InChI: InChI=1S/C16H18O4/c1-17-12-7-5-11(6-8-12)13-9-10-14(18-2)16(20-4)15(13)19-3/h5-10H,1-4H3

Standard InChI Key: TZYDMNYEWNWIMB-UHFFFAOYSA-N

Associated Targets(Human)

Lysine-specific demethylase 4A 52245 Activities

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

Nuclear factor erythroid 2-related factor 2 95332 Activities

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

Chromobox protein homolog 1 92434 Activities

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

HEK293 82097 Activities

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

Geminin 128009 Activities

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

DNA dC->dU-editing enzyme APOBEC-3F 14861 Activities

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

DNA dC->dU-editing enzyme APOBEC-3G 12481 Activities

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

Glucagon-like peptide 1 receptor 111429 Activities

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

Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities

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

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 36611 Activities

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

HCT-116 91556 Activities

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

Tyrosyl-DNA phosphodiesterase 1 345557 Activities

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

Isocitrate dehydrogenase [NADP] cytoplasmic 40980 Activities

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

Associated Targets(non-human)

Tubulin polymerization-promoting protein 21 Activities

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

Nicotiana tabacum 382 Activities

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

Molecule Features

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

Drug Indications

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

Mechanisms of Action

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

Properties

Molecular Weight: 274.32	Molecular Weight (Monoisotopic): 274.1205	AlogP: 3.39	#Rotatable Bonds: 5
Polar Surface Area: 36.92	Molecular Species: NEUTRAL	HBA: 4	HBD: 0
#RO5 Violations: 0	HBA (Lipinski): 4	HBD (Lipinski): 0	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa:	CX LogP: 2.99	CX LogD: 2.99
Aromatic Rings: 2	Heavy Atoms: 20	QED Weighted: 0.84	Np Likeness Score: 0.11

References

1. PubChem BioAssay data set,
2. Young DH, Tice CM, Michelotti EL, Roemmele RC, Slawecki RA, Rubio FM, Rolling JA.. (2001) Structure-activity relationships of phenylcyclohexene and biphenyl antitubulin compounds against plant and mammalian cells., 11 (11): [PMID:11378362] [10.1016/s0960-894x(01)00246-3]

Source

Source(2):