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Compounds
ALA3904768

N-(5-((3,4-Difluorobenzyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

ID: ALA3904768

Chembl Id: CHEMBL3904768

PubChem CID: 71291191

Max Phase: Preclinical

Molecular Formula: C26H19F3N6O2

Molecular Weight: 504.47

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NCc4ccc(F)c(F)c4)ccc3F)cnc2c1

Standard InChI: InChI=1S/C26H19F3N6O2/c1-34-22(6-8-32-34)16-7-9-35-23(14-30-24(35)12-16)26(37)33-21-11-17(3-5-19(21)28)25(36)31-13-15-2-4-18(27)20(29)10-15/h2-12,14H,13H2,1H3,(H,31,36)(H,33,37)

Standard InChI Key: AFMNYDOAZIYBKT-UHFFFAOYSA-N

Alternative Forms

Parent:

ALA3904768
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

Associated Targets(Human)

PDGFRA Tclin Platelet-derived growth factor receptor alpha (5682 Activities)

Discover Target: PDGFRA

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Pdgfrb Platelet-derived growth factor receptor beta (40 Activities)

Discover Target: Pdgfrb

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: 504.47	Molecular Weight (Monoisotopic): 504.1522	AlogP: 4.33	#Rotatable Bonds: 6
Polar Surface Area: 93.32	Molecular Species: NEUTRAL	HBA: 6	HBD: 2
#RO5 Violations: 1	HBA (Lipinski): 8	HBD (Lipinski): 2	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 13.80	CX Basic pKa: 4.20	CX LogP: 2.99	CX LogD: 2.99
Aromatic Rings: 5	Heavy Atoms: 37	QED Weighted: 0.36	Np Likeness Score: -2.05

References

1. Shaw DE, Baig F, Bruce I, Chamoin S, Collingwood SP, Cross S, Dayal S, Drückes P, Furet P, Furminger V, Haggart D, Hussey M, Konstantinova I, Loren JC, Molteni V, Roberts S, Reilly J, Saunders AM, Stringer R, Sviridenko L, Thomas M, Thomson CG, Tomlins C, Wen B, Yeh V, Pearce AC.. (2016) Optimization of Platelet-Derived Growth Factor Receptor (PDGFR) Inhibitors for Duration of Action, as an Inhaled Therapy for Lung Remodeling in Pulmonary Arterial Hypertension., 59 (17): [PMID:27502700] [10.1021/acs.jmedchem.6b00703]

Source

Source(1):

Scientific Literature