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5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

ID: ALA472452

Chembl Id: CHEMBL472452

PubChem CID: 25110719

Max Phase: Preclinical

Molecular Formula: C11H9ClN4S

Molecular Weight: 264.74

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Clc1cc(NCc2cccs2)n2nccc2n1

Standard InChI: InChI=1S/C11H9ClN4S/c12-9-6-11(13-7-8-2-1-5-17-8)16-10(15-9)3-4-14-16/h1-6,13H,7H2

Standard InChI Key: CYMQFMRIPVOICF-UHFFFAOYSA-N

Parent:

ALA472452
5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (139 Activities)

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

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (21 Activities)

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (20 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: 264.74	Molecular Weight (Monoisotopic): 264.0236	AlogP: 3.06	#Rotatable Bonds: 3
Polar Surface Area: 42.22	Molecular Species: NEUTRAL	HBA: 5	HBD: 1
#RO5 Violations: 0	HBA (Lipinski): 4	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa: 1.31	CX LogP: 2.68	CX LogD: 2.68
Aromatic Rings: 3	Heavy Atoms: 17	QED Weighted: 0.74	Np Likeness Score: -2.84

1. Gentles RG, Hu S, Huang Y, Grant-Young K, Poss MA, Andres C, Fiedler T, Knox R, Lodge N, Weaver CD, Harden DG.. (2008) Preliminary SAR studies on non-apamin-displacing 4-(aminomethylaryl)pyrrazolopyrimidine K(Ca) channel blockers., 18 (20): [PMID:18824351] [10.1016/j.bmcl.2008.08.026]

Source(1):