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Compound Detail

CHEMBL4597637

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COc1ccc(F)cc1C1CC1CN(C)CCCSc1nnc(-c2ccccc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597637
Phase Preclinical
Structure Type MOL
InChI Key UQKLFSKKULYASF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
4.85
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29FN4OS
MW 440.59
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine