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Compound Detail

CHEMBL4596221

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CCN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1c1cc(F)ccc1OCCF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596221
Phase Preclinical
Structure Type MOL
InChI Key SEDSBEYYCSPKRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
5.58
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32F2N4OS
MW 486.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine