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

྾

N-(6-Choro-1,2,3,4-tetrahydronaphthalen-2-yl)-5-methyl-[1,2,4]-triazolo[1,5-a]pyrimidin-7-amine

ID: ALA1784595

Chembl Id: CHEMBL1784595

PubChem CID: 51348004

Max Phase: Preclinical

Molecular Formula: C16H16ClN5

Molecular Weight: 313.79

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2ncnc2n1

Standard InChI: InChI=1S/C16H16ClN5/c1-10-6-15(22-16(20-10)18-9-19-22)21-14-5-3-11-7-13(17)4-2-12(11)8-14/h2,4,6-7,9,14,21H,3,5,8H2,1H3

Standard InChI Key: IZCPOZYAPNVKQK-UHFFFAOYSA-N

Parent:

ALA1784595
N-(6-chlorotetralin-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

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

dhod Dihydroorotate dehydrogenase (710 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Dihydroorotate dehydrogenase (quinone), mitochondrial (90 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: 313.79	Molecular Weight (Monoisotopic): 313.1094	AlogP: 3.06	#Rotatable Bonds: 2
Polar Surface Area: 55.11	Molecular Species: NEUTRAL	HBA: 5	HBD: 1
#RO5 Violations: ┄	HBA (Lipinski): 5	HBD (Lipinski): 1	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: 3.07	CX LogD: 3.07
Aromatic Rings: 3	Heavy Atoms: 22	QED Weighted: 0.79	Np Likeness Score: -1.92

1. Gujjar R, El Mazouni F, White KL, White J, Creason S, Shackleford DM, Deng X, Charman WN, Bathurst I, Burrows J, Floyd DM, Matthews D, Buckner FS, Charman SA, Phillips MA, Rathod PK.. (2011) Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice., 54 (11): [PMID:21517059] [10.1021/jm200265b]
2. (2016) Antimalarial agents that are inhibitors of dihydroorotate dehydrogenase,

Source(2):