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Compound Detail

CHEMBL1688247

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FC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3cn[nH]c3)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688247
Phase Preclinical
Structure Type MOL
InChI Key DDNYJQBAUGAKMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.89
ALogP
5
HBA
3
HBD
95.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3N7
MW 385.35
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
24900236 10.1021/ml1001568 Vascular endothelial growth factor receptor 2 2
24900236 10.1021/ml1001568 Unchecked 1
24900236 10.1021/ml1001568 A-431 1

Data from ChEMBL 36 via Core Engine