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Compound Detail

CHEMBL113312

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CCCCCCCCCCCCNC(=O)c1cc(C(O)CNC(C)CCc2ccc3c(c2)OCO3)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113312
Phase Preclinical
Structure Type MOL
InChI Key FEDPBPJAPYPAOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.8
MW (Da)
6.42
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H48N2O5
MW 540.75
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine