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Compound Detail

CHEMBL4651103

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Cc1cc(OCCC[n+]2c(C)cc(/C=C/c3cc4c5c(c3)CCCN5CCC4)cc2C)ccc1-c1nc2c(C)c(F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651103
Phase Preclinical
Structure Type MOL
InChI Key SQTKIPQWHVHBNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

601.8
MW (Da)
8.23
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H42FN4O+
MW 601.79
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine