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Compound Detail

CHEMBL1204439

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CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(N(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204439
Phase Preclinical
Structure Type MOL
InChI Key GLENTBWEHGHDCL-PMERELPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

572.7
MW (Da)
6.64
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H36N2O5S
MW 572.73
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine