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Compound Detail

CHEMBL4463776

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Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463776
Phase Preclinical
Structure Type MOL
InChI Key QQLAXBUUMWUFLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.11
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28F2N4O
MW 486.57
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
31858797 10.1021/acs.jmedchem.9b01608 Unchecked 2
31858797 10.1021/acs.jmedchem.9b01608 MV4-11 1
31858797 10.1021/acs.jmedchem.9b01608 MOLM-13 1
31858797 10.1021/acs.jmedchem.9b01608 K562 1
31858797 10.1021/acs.jmedchem.9b01608 WD repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine