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Compound Detail

CHEMBL1204529

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CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(C)=O)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204529
Phase Preclinical
Structure Type MOL
InChI Key CHDWTRUYQSFVEW-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
5.92
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.36
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N2O4S
MW 524.73
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine