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Compounds
ALA1421982

ID: ALA1421982

Max Phase: Preclinical

Molecular Formula: C23H19N3O4

Molecular Weight: 401.42

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Representations

Canonical SMILES: O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)n1

Standard InChI: InChI=1S/C23H19N3O4/c27-20-16-10-4-5-11(8-10)17(16)21(28)25(20)14-2-1-3-15(24-14)26-22(29)18-12-6-7-13(9-12)19(18)23(26)30/h1-7,10-13,16-19H,8-9H2

Standard InChI Key: XUHBJVKFPCUALP-UHFFFAOYSA-N

Associated Targets(Human)

Importin subunit beta-1/Snurportin-1 25097 Activities

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

DNA polymerase iota 116820 Activities

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

Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein 4148 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

Associated Targets(non-human)

Nonstructural protein 1 33327 Activities

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

Scavenger receptor class B member 1 349 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: 401.42	Molecular Weight (Monoisotopic): 401.1376	AlogP: 1.70	#Rotatable Bonds: 2
Polar Surface Area: 87.65	Molecular Species: NEUTRAL	HBA: 5	HBD: 0
#RO5 Violations: 0	HBA (Lipinski): 7	HBD (Lipinski): 0	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa:	CX LogP: 1.40	CX LogD: 1.40
Aromatic Rings: 1	Heavy Atoms: 30	QED Weighted: 0.56	Np Likeness Score: -0.43

References

1. PubChem BioAssay data set,
2. PubChem BioAssay data set,

Source

Source(1):

PubChem BioAssays