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Compound Detail

CHEMBL3735380

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CC(C)n1nc(C#Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735380
Phase Preclinical
Structure Type MOL
InChI Key GZOUZKNRUVPCDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
3.41
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3N5
MW 345.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
26562217 10.1021/acs.jmedchem.5b01125 Tyrosine-protein kinase ABL1 2
26562217 10.1021/acs.jmedchem.5b01125 NON-PROTEIN TARGET 2
26562217 10.1021/acs.jmedchem.5b01125 Unchecked 1
26562217 10.1021/acs.jmedchem.5b01125 BaF3 1

Data from ChEMBL 36 via Core Engine