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Compound Detail

CHEMBL4545726

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N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(NC1CCOCC1)C(C3)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545726
Phase Preclinical
Structure Type MOL
InChI Key UYSNSMKFBXZCKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

556.6
MW (Da)
5.23
ALogP
8
HBA
3
HBD
104.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35F3N6O2
MW 556.63
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
30704835 10.1016/j.bmc.2019.01.019 Protein kinase C theta type 1
30704835 10.1016/j.bmc.2019.01.019 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine