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Compound Detail

CHEMBL1186600

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CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186600
Phase Preclinical
Structure Type MOL
InChI Key YAMFDKAAACRVKI-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.7
MW (Da)
4.48
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N2O5S
MW 524.68
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine