JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

ID: ALA1209766

Chembl Id: CHEMBL1209766

PubChem CID: 11654093

Max Phase: Preclinical

Molecular Formula: C17H20Cl2N6O

Molecular Weight: 395.29

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COCCN(C)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1

Standard InChI: InChI=1S/C17H20Cl2N6O/c1-10-13(9-20)15(12-5-4-11(18)8-14(12)19)25-16(21-10)22-17(23-25)24(2)6-7-26-3/h4-5,8H,6-7,9,20H2,1-3H3

Standard InChI Key: KRWYTIWWBMYZRH-UHFFFAOYSA-N

Parent:

ALA1209766
6-(aminomethyl)-7-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

DPP4 Tclin Dipeptidyl peptidase IV (7109 Activities)

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

DPP8 Tchem Dipeptidyl peptidase VIII (2139 Activities)

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

DPP9 Tchem Dipeptidyl peptidase IX (1624 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: 395.29	Molecular Weight (Monoisotopic): 394.1076	AlogP: 2.95	#Rotatable Bonds: 6
Polar Surface Area: 81.57	Molecular Species: BASE	HBA: 7	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 7	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: 8.97	CX LogP: 2.98	CX LogD: 1.42
Aromatic Rings: 3	Heavy Atoms: 26	QED Weighted: 0.69	Np Likeness Score: -1.61

1. Brigance RP, Meng W, Fura A, Harrity T, Wang A, Zahler R, Kirby MS, Hamann LG.. (2010) Synthesis and SAR of azolopyrimidines as potent and selective dipeptidyl peptidase-4 (DPP4) inhibitors for type 2 diabetes., 20 (15): [PMID:20598534] [10.1016/j.bmcl.2010.06.063]
2. Kumar S, Mittal A, Mittal A.. (2021) A review upon medicinal perspective and designing rationale of DPP-4 inhibitors., 46 [PMID:34428715] [10.1016/j.bmc.2021.116354]

Source(1):