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Compound Detail

CHEMBL4597532

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COc1ccc(F)cc1C1CC1CN(CCCSc1nnc(-c2ccccc2)n1C)CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597532
Phase Preclinical
Structure Type MOL
InChI Key WZYFZOQYIYKUJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.63
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33FN4OS
MW 480.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine