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Compound Detail

CHEMBL4088115

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O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1cc(C(F)(F)F)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088115
Phase Preclinical
Structure Type MOL
InChI Key OHQWRZYGQVKDHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
4.80
ALogP
6
HBA
3
HBD
95.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F3N6O2
MW 496.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
29357250 10.1021/acs.jmedchem.7b01261 MV4-11 2
29357250 10.1021/acs.jmedchem.7b01261 Receptor-type tyrosine-protein kinase FLT3 2
29357250 10.1021/acs.jmedchem.7b01261 CDK2/Cyclin A1 2

Data from ChEMBL 36 via Core Engine