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Compound Detail

CHEMBL3589655

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O=C(O)c1nc2ccccc2c2[nH]c3ccc(C(F)(F)F)cc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589655
Phase Preclinical
Structure Type MOL
InChI Key NGNLQRJYJYGKEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
4.59
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.54
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 C17H9F3N2O2
MW 330.26
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
25730262 10.1021/jm501994d Unchecked 3
25730262 10.1021/jm501994d Cyclin-dependent kinase 2 1
25730262 10.1021/jm501994d Cyclin-dependent kinase 5 1
25730262 10.1021/jm501994d Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
25730262 10.1021/jm501994d Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine