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Compound Detail

CHEMBL6044128

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COc1ccccc1C(Cn1c(=O)n(C2(C(N)=O)CCCC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6044128
Phase Preclinical
Structure Type MOL
InChI Key LRUBWGLNPKUKLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

606.5
MW (Da)
4.00
ALogP
9
HBA
1
HBD
114.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32BrN3O6S
MW 606.54
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine