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Compounds
ALA83279

1-Phenyl-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1H-benzoimidazole

ID: ALA83279

Chembl Id: CHEMBL83279

PubChem CID: 5329412

Max Phase: Preclinical

Molecular Formula: C26H27N3O

Molecular Weight: 397.52

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: c1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)ccc32)cc1

Standard InChI: InChI=1S/C26H27N3O/c1-3-7-23(8-4-1)29-20-27-25-19-22(11-14-26(25)29)21-9-12-24(13-10-21)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19-20H,2,5-6,15-18H2

Standard InChI Key: PNGUVNHPACPGIY-UHFFFAOYSA-N

Alternative Forms

Parent:

ALA83279
Benzimidazole deriv. 3

Associated Targets(Human)

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

HUVEC (11049 Activities)

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) (27 Activities)

Discover Target: FLT1

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

FLT4 Tclin Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4) (23 Activities)

Discover Target: FLT4

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

PDGFRB Tclin VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) (29 Activities)

Discover Target: PDGFRB

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

KDR Tclin VEGF-receptor 2 and Fibroblast growth factor receptor 1 (50 Activities)

Discover Target: KDR

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

KDR Tclin VEGF-receptor 2 and Fibroblast growth factor receptor 2 (15 Activities)

Discover Target: KDR

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

SRC Tclin VEGF-receptor 2 and tyrosine-protein kinase SRC (25 Activities)

Discover Target: SRC

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

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

Canis familiaris (36305 Activities)

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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: 397.52	Molecular Weight (Monoisotopic): 397.2154	AlogP: 5.56	#Rotatable Bonds: 6
Polar Surface Area: 30.29	Molecular Species: BASE	HBA: 4	HBD: ┄
#RO5 Violations: 1	HBA (Lipinski): 4	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): 1
CX Acidic pKa: ┄	CX Basic pKa: 8.83	CX LogP: 5.50	CX LogD: 4.06
Aromatic Rings: 4	Heavy Atoms: 30	QED Weighted: 0.43	Np Likeness Score: -1.34

References

1. Bilodeau MT, Cunningham AM, Koester TJ, Ciecko PA, Coll KE, Huckle WR, Hungate RW, Kendall RL, McFall RC, Mao X, Rutledge RZ, Thomas KA.. (2003) Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGF-receptor KDR., 13 (15): [PMID:12852948] [10.1016/s0960-894x(03)00485-2]

Source

Source(1):

Scientific Literature