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3-phenyl-6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidine

ID: ALA2385590

Chembl Id: CHEMBL2385590

PubChem CID: 60182385

Max Phase: Preclinical

Molecular Formula: C22H21N5

Molecular Weight: 355.45

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc1

Standard InChI: InChI=1S/C22H21N5/c1-2-4-18(5-3-1)21-15-25-27-16-19(14-24-22(21)27)17-6-8-20(9-7-17)26-12-10-23-11-13-26/h1-9,14-16,23H,10-13H2

Standard InChI Key: WLXBZZLKNLKRKJ-UHFFFAOYSA-N

Parent:

ALA2385590
3-Phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

TGFBR1 Tchem TGF-beta receptor type I (3786 Activities)

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

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

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

PRKAB1 Tchem AMP-activated protein kinase, beta-1 subunit (56 Activities)

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

ACVR1 Tchem Activin receptor type-1 (1516 Activities)

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

Bmp4 Bone morphogenetic protein 4 (32 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: 355.45	Molecular Weight (Monoisotopic): 355.1797	AlogP: 3.47	#Rotatable Bonds: 3
Polar Surface Area: 45.46	Molecular Species: BASE	HBA: 5	HBD: 1
#RO5 Violations: 0	HBA (Lipinski): 5	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa: 8.87	CX LogP: 3.52	CX LogD: 2.04
Aromatic Rings: 4	Heavy Atoms: 27	QED Weighted: 0.61	Np Likeness Score: -1.35

1. Engers DW, Frist AY, Lindsley CW, Hong CC, Hopkins CR.. (2013) Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe., 23 (11): [PMID:23639540] [10.1016/j.bmcl.2013.03.113]
2. (2015) Compounds and methods useful for directing stem cell differentiation,

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