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Compound Detail

CHEMBL5598062

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Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCC[C@H](O)C2)c2c1C1CCC2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598062
Phase Preclinical
Structure Type MOL
InChI Key LLWHWTMWNVEIRT-GMEATFMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.34
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26F3N3O2
MW 433.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
39169676 10.1021/acs.jmedchem.4c01341 Unchecked 3

Data from ChEMBL 36 via Core Engine