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Compound Detail

CHEMBL3182668

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CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)c(NC(=O)c4ccccc4)cc3OC)nnc2-c2cccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3182668
Phase Preclinical
Structure Type MOL
InChI Key DJFJHODONZSSCL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

599.7
MW (Da)
6.69
ALogP
9
HBA
2
HBD
107.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H29N5O4S2
MW 599.74
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -2.35

Data from ChEMBL 36 via Core Engine