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Compound Detail

CHEMBL4598003

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

Basic Information

ChEMBL ID CHEMBL4598003
Phase Preclinical
Structure Type MOL
InChI Key XYLLCILLEMTVLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
5.63
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.27
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 C26H33FN4OS
MW 468.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine