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Compound Detail

CHEMBL5596628

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N#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C4CC(F)(F)C4)C3)c3c2C2CCC3CC2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596628
Phase Preclinical
Structure Type MOL
InChI Key PAQPVNKTERTIOB-DAWZGUTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.15
ALogP
6
HBA
2
HBD
85.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29F2N5O
MW 465.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
39169676 10.1021/acs.jmedchem.4c01341 Unchecked 3
39169676 10.1021/acs.jmedchem.4c01341 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine