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(E)-2-cyano-3-(1H-indol-2-yl)-N-phenylacrylamide

ID: ALA4092948

Chembl Id: CHEMBL4092948

PubChem CID: 137653238

Max Phase: Preclinical

Molecular Formula: C18H13N3O

Molecular Weight: 287.32

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: N#C/C(=C\c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1

Standard InChI: InChI=1S/C18H13N3O/c19-12-14(18(22)21-15-7-2-1-3-8-15)11-16-10-13-6-4-5-9-17(13)20-16/h1-11,20H,(H,21,22)/b14-11+

Standard InChI Key: QDRWQJFXOXXXEX-SDNWHVSQSA-N

KCNK2 Tclin Potassium channel subfamily K member 2 (490 Activities)

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

KCNK10 Tclin Potassium channel subfamily K member 10 (76 Activities)

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

KCNK4 Tbio Potassium channel subfamily K member 4 (18 Activities)

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

KCNK9 Tclin Potassium channel subfamily K member 9 (192 Activities)

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

Mus musculus (284745 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: 287.32	Molecular Weight (Monoisotopic): 287.1059	AlogP: 3.71	#Rotatable Bonds: 3
Polar Surface Area: 68.68	Molecular Species: NEUTRAL	HBA: 2	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 4	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 13.04	CX Basic pKa: ┄	CX LogP: 3.40	CX LogD: 3.40
Aromatic Rings: 3	Heavy Atoms: 22	QED Weighted: 0.57	Np Likeness Score: -1.03

1. Vivier D, Soussia IB, Rodrigues N, Lolignier S, Devilliers M, Chatelain FC, Prival L, Chapuy E, Bourdier G, Bennis K, Lesage F, Eschalier A, Busserolles J, Ducki S.. (2017) Development of the First Two-Pore Domain Potassium Channel TWIK-Related K+ Channel 1-Selective Agonist Possessing in Vivo Antinociceptive Activity., 60 (3): [PMID:28051863] [10.1021/acs.jmedchem.6b01285]

Source(1):