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Compound Detail

CHEMBL4595859

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

Basic Information

ChEMBL ID CHEMBL4595859
Phase Preclinical
Structure Type MOL
InChI Key ARLJJBVYIOLHMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.1
MW (Da)
6.14
ALogP
6
HBA
0
HBD
43.2
PSA (Ų)
0.22
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 C27H33ClN4OS
MW 497.11
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine