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(R)-16-hydroxyoctadec-9-enamide

ID: ALA1255713

Chembl Id: CHEMBL1255713

PubChem CID: 52947030

Max Phase: Preclinical

Molecular Formula: C18H35NO2

Molecular Weight: 297.48

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC[C@@H](O)CCCCC/C=C\CCCCCCCC(N)=O

Standard InChI: InChI=1S/C18H35NO2/c1-2-17(20)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)21/h3,5,17,20H,2,4,6-16H2,1H3,(H2,19,21)/b5-3-/t17-/m1/s1

Standard InChI Key: VSAYDYGAVLWUIT-MAVJXHJTSA-N

Mannheimia haemolytica (42 Activities)

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

Pasteurella multocida (1166 Activities)

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

Actinobacillus pleuropneumoniae (73 Activities)

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

Histophilus somni (12 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: 297.48	Molecular Weight (Monoisotopic): 297.2668	AlogP: 4.48	#Rotatable Bonds: 15
Polar Surface Area: 63.32	Molecular Species: NEUTRAL	HBA: 2	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 3	HBD (Lipinski): 3	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 4.59	CX LogD: 4.59
Aromatic Rings: ┄	Heavy Atoms: 21	QED Weighted: 0.35	Np Likeness Score: 1.02

1. Watanabe T, Kurata I, Hayashi C, Igarashi M, Sawa R, Takahashi Y, Akamatsu Y.. (2010) The synthesis of paleic acid, an antimicrobial agent effective against Mannheimia and Pasteurella, and its structurally related derivatives., 20 (19): [PMID:20728353] [10.1016/j.bmcl.2010.07.115]

Source(1):