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Compound Detail

CHEMBL4594692

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CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594692
Phase Preclinical
Structure Type MOL
InChI Key CKXPAKSGYIPITQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.24
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31FN4OS
MW 454.62
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.51

Data from ChEMBL 36 via Core Engine