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4-(2-(2-methoxyphenylamino)pyrimidin-4-yl)benzamide

ID: ALA4129040

Chembl Id: CHEMBL4129040

PubChem CID: 145961348

Max Phase: Preclinical

Molecular Formula: C18H16N4O2

Molecular Weight: 320.35

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: COc1ccccc1Nc1nccc(-c2ccc(C(N)=O)cc2)n1

Standard InChI: InChI=1S/C18H16N4O2/c1-24-16-5-3-2-4-15(16)22-18-20-11-10-14(21-18)12-6-8-13(9-7-12)17(19)23/h2-11H,1H3,(H2,19,23)(H,20,21,22)

Standard InChI Key: DLBMFLKYVCPNBQ-UHFFFAOYSA-N

CAMKK2 Tchem CaM-kinase kinase beta (1281 Activities)

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

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

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

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

Camkk2 Calcium/calmodulin-dependent protein kinase kinase 2 (44 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: 320.35	Molecular Weight (Monoisotopic): 320.1273	AlogP: 2.99	#Rotatable Bonds: 5
Polar Surface Area: 90.13	Molecular Species: NEUTRAL	HBA: 5	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 6	HBD (Lipinski): 3	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 12.68	CX Basic pKa: 1.49	CX LogP: 2.89	CX LogD: 2.89
Aromatic Rings: 3	Heavy Atoms: 24	QED Weighted: 0.75	Np Likeness Score: -1.28

1. Price DJ, Drewry DH, Schaller LT, Thompson BD, Reid PR, Maloney PR, Liang X, Banker P, Buckholz RG, Selley PK, McDonald OB, Smith JL, Shearer TW, Cox RF, Williams SP, Reid RA, Tacconi S, Faggioni F, Piubelli C, Sartori I, Tessari M, Wang TY.. (2018) An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model., 28 (10): [PMID:29653895] [10.1016/j.bmcl.2018.03.034]

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