(E)-N-Hydroxy-3-(4-phenoxyphenyl)acrylamide

Names and Identifiers

Canonical SMILES: O=C(/C=C/c1ccc(Oc2ccccc2)cc1)NO

Standard InChI: InChI=1S/C15H13NO3/c17-15(16-18)11-8-12-6-9-14(10-7-12)19-13-4-2-1-3-5-13/h1-11,18H,(H,16,17)/b11-8+

Standard InChI Key: POGJODZTUHTXIU-DHZHZOJOSA-N

Molfile:

 
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M  END

Alternative Forms

Parent:

ALA4570858
---

Associated Targets(Human)

HDAC1 Tclin Histone deacetylase 1/2/3 (160 Activities)

Discover Target: HDAC1

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

Huh-7 (12904 Activities)

Explore this target

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

HDAC6 Tclin Histone deacetylase 6 (20808 Activities)

Discover Target: HDAC6

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

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

Associated Targets(non-human)

Hepatitis C virus (23859 Activities)

Explore this target

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: Unknown	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

Calculated Properties

Molecular Weight: 255.27	Molecular Weight (Monoisotopic): 255.0895	AlogP: 3.00	#Rotatable Bonds: 4
Polar Surface Area: 58.56	Molecular Species: NEUTRAL	HBA: 3	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 4	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 9.56	CX Basic pKa: ┄	CX LogP: 2.83	CX LogD: 2.82
Aromatic Rings: 2	Heavy Atoms: 19	QED Weighted: 0.50	Np Likeness Score: -0.15

References

1. Kozlov MV, Konduktorov KA, Malikova AZ, Kamarova KA, Shcherbakova AS, Solyev PN, Kochetkov SN.. (2019) Structural isomers of cinnamic hydroxamic acids block HCV replication via different mechanisms., 183 [PMID:31557613] [10.1016/j.ejmech.2019.111723]

Source

Source(1):

Scientific Literature