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Compounds
ALA1347510

SID4249119

ID: ALA1347510

Chembl Id: CHEMBL1347510

PubChem CID: 3243113

Max Phase: Preclinical

Molecular Formula: C24H24N2O5

Molecular Weight: 420.47

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1

Standard InChI: InChI=1S/C24H24N2O5/c1-29-20-5-2-3-6-21(20)31-17-18-8-10-19(11-9-18)23(27)25-12-14-26(15-13-25)24(28)22-7-4-16-30-22/h2-11,16H,12-15,17H2,1H3

Standard InChI Key: XDJNLYKCVMQAEZ-UHFFFAOYSA-N

Alternative Forms

Parent:

ALA1347510
1-(2-Furoyl)-4-{4-[(2-methoxyphenoxy)methyl]benzoyl}piperazine

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

Discover Target: KPNB1

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

ABL1 Tclin Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 (230 Activities)

Discover Target: ABL1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Plasmodium falciparum (966862 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: 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

Calculated Properties

Molecular Weight: 420.47	Molecular Weight (Monoisotopic): 420.1685	AlogP: 3.47	#Rotatable Bonds: 6
Polar Surface Area: 72.22	Molecular Species: NEUTRAL	HBA: 5	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 7	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 2.67	CX LogD: 2.67
Aromatic Rings: 3	Heavy Atoms: 31	QED Weighted: 0.61	Np Likeness Score: -1.04

References

1. PubChem BioAssay data set,

Source

Source(1):

PubChem BioAssays