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Compound Detail

CHEMBL1190146

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CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCC(COC(=O)CCC(=O)OCC2CCN([C@H]3CCCC[C@@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190146
Phase Preclinical
Structure Type MOL
InChI Key CBYNCYCFPADTOK-NXHDTTHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

823.0
MW (Da)
7.01
ALogP
10
HBA
0
HBD
126.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H62N4O8
MW 823.04
Aromatic Rings 4
Heavy Atoms 60
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine