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Compound Detail

CHEMBL4594886

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Cc1c(C(=O)Nc2nc(C3CCC3)c(CCN3CCCCC3)s2)cnn1-c1ccc(F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594886
Phase Preclinical
Structure Type MOL
InChI Key OQUIMEDAXPXAOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.72
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29FN6OS
MW 468.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.28

Data from ChEMBL 36 via Core Engine