Dual specificty protein kinase CLK1 2189 Activities
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Glycogen synthase kinase-3 925 Activities
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Molecule Features
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
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Properties
Molecular Weight: 275.31
Molecular Weight (Monoisotopic): 275.1059
AlogP: 3.64
#Rotatable Bonds: 3
Polar Surface Area: 61.70
Molecular Species: NEUTRAL
HBA: 3
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 4
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 4.76
CX LogP: 2.75
CX LogD: 2.75
Aromatic Rings: 3
Heavy Atoms: 21
QED Weighted: 0.74
Np Likeness Score: -1.02
References
1.Labrière C, Talapatra SK, Thoret S, Bougeret C, Kozielski F, Guillou C.. (2016) New MKLP-2 inhibitors in the paprotrain series: Design, synthesis and biological evaluations., 24 (4):[PMID:26778612][10.1016/j.bmc.2015.12.042]
2.Labrière C, Lozach O, Blairvacq M, Meijer L, Guillou C.. (2016) Further investigation of Paprotrain: Towards the conception of selective and multi-targeted CNS kinase inhibitors., 124 [PMID:27676471][10.1016/j.ejmech.2016.08.069]
