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(E)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one

ID: ALA2262118

Chembl Id: CHEMBL2262118

Cas Number: 36768-48-6

PubChem CID: 5356337

Max Phase: Preclinical

Molecular Formula: C15H10Cl2O2

Molecular Weight: 293.15

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(/C=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1O

Standard InChI: InChI=1S/C15H10Cl2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H/b7-3+

Standard InChI Key: TTWITESQDJUURJ-XVNBXDOJSA-N

SK-N-MC (815 Activities)

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

K562 (73714 Activities)

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

TUBA4A Tubulin alpha 4a (17 Activities)

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

Akr1b1 Aldose reductase (4007 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: 293.15	Molecular Weight (Monoisotopic): 292.0058	AlogP: 4.60	#Rotatable Bonds: 3
Polar Surface Area: 37.30	Molecular Species: NEUTRAL	HBA: 2	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 2	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 6.66	CX Basic pKa: ┄	CX LogP: 5.44	CX LogD: 4.65
Aromatic Rings: 2	Heavy Atoms: 19	QED Weighted: 0.66	Np Likeness Score: -0.11

1. Aryapour H, Riazi GH, Foroumadi A, Ahmadian S, Shafiee A, Karima O, Mahdavi M, Emami S, Sorkhi M, Khodadady S. (2011) Biological evaluation of synthetic analogues of curcumin: chloro-substituted-2-hydroxychalcones as potential inhibitors of tubulin polymerization and cell proliferation, 20 (4): [10.1007/s00044-010-9344-z]
2. Avram SI, Crisan L, Pacureanu LM, Bora A, Seclaman E, Balint M, Kurunczi LG. (2013) Challenges in docking 2-hydroxy and 2,4-dihydroxychalcones into the binding site of ALR2, 22 (8): [10.1007/s00044-012-0367-5]

Source(1):