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3-[1-(2-Methoxyethyl)-1H-pyrazol-4-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine

ID: ALA3262029

Chembl Id: CHEMBL3262029

PubChem CID: 67426178

Max Phase: Preclinical

Molecular Formula: C16H20N6O2

Molecular Weight: 328.38

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COCCn1cc(-c2cnc3c(N4CCOCC4)nccn23)cn1

Standard InChI: InChI=1S/C16H20N6O2/c1-23-7-6-21-12-13(10-19-21)14-11-18-16-15(17-2-3-22(14)16)20-4-8-24-9-5-20/h2-3,10-12H,4-9H2,1H3

Standard InChI Key: BKZYWKFEJFIZRM-UHFFFAOYSA-N

Parent:

ALA3262029
4-[3-[1-(2-Methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine

PDE1B Tclin Phosphodiesterase 1B (178 Activities)

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

PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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

PDE6A Tclin Phosphodiesterase 6A (126 Activities)

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

Pde10a cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (1396 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: 328.38	Molecular Weight (Monoisotopic): 328.1648	AlogP: 1.08	#Rotatable Bonds: 5
Polar Surface Area: 69.71	Molecular Species: NEUTRAL	HBA: 8	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): 8	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 3.01	CX LogP: -0.03	CX LogD: -0.03
Aromatic Rings: 3	Heavy Atoms: 24	QED Weighted: 0.70	Np Likeness Score: -2.07

1. Bartolomé-Nebreda JM, Delgado F, Martín-Martín ML, Martínez-Viturro CM, Pastor J, Tong HM, Iturrino L, Macdonald GJ, Sanderson W, Megens A, Langlois X, Somers M, Vanhoof G, Conde-Ceide S.. (2014) Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia., 57 (10): [PMID:24758746] [10.1021/jm500073h]

Source(1):