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Compound Detail

CHEMBL1204575

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

Basic Information

ChEMBL ID CHEMBL1204575
Phase Preclinical
Structure Type MOL
InChI Key DGZFYSHLPNCUEY-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.7
MW (Da)
6.00
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40N2O3S
MW 496.72
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine