Standard InChI: InChI=1S/C24H25N5O/c1-2-11-28(12-3-1)13-14-30-22-8-6-19(7-9-22)21-16-26-24-23(17-27-29(24)18-21)20-5-4-10-25-15-20/h4-10,15-18H,1-3,11-14H2
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) 29 Activities
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Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) 27 Activities
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Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4) 23 Activities
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VEGF-receptor 2 and Fibroblast growth factor receptor 1 50 Activities
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VEGF-receptor 2 and Fibroblast growth factor receptor 2 15 Activities
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VEGF-receptor 2 and tyrosine-protein kinase SRC 25 Activities
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Bone morphogenetic protein 4 33 Activities
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Associated Targets(non-human)
Rattus norvegicus 775804 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
Drug Indications
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Properties
Molecular Weight: 399.50
Molecular Weight (Monoisotopic): 399.2059
AlogP: 4.32
#Rotatable Bonds: 6
Polar Surface Area: 55.55
Molecular Species: BASE
HBA: 6
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 6
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa: 8.81
CX LogP: 3.44
CX LogD: 2.02
Aromatic Rings: 4
Heavy Atoms: 30
QED Weighted: 0.48
Np Likeness Score: -1.54
References
1.Fraley ME, Rubino RS, Hoffman WF, Hambaugh SR, Arrington KL, Hungate RW, Bilodeau MT, Tebben AJ, Rutledge RZ, Kendall RL, McFall RC, Huckle WR, Coll KE, Thomas KA.. (2002) Optimization of a pyrazolo[1,5-a]pyrimidine class of KDR kinase inhibitors: improvements in physical properties enhance cellular activity and pharmacokinetics., 12 (24):[PMID:12443771][10.1016/s0960-894x(02)00827-2]
2.Cuny GD, Yu PB, Laha JK, Xing X, Liu JF, Lai CS, Deng DY, Sachidanandan C, Bloch KD, Peterson RT.. (2008) Structure-activity relationship study of bone morphogenetic protein (BMP) signaling inhibitors., 18 (15):[PMID:18621530][10.1016/j.bmcl.2008.06.052]
