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Compound Detail

CHEMBL289342

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C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3OCCCO3)cc2)cc1)CC1OCCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289342
Phase Preclinical
Structure Type MOL
InChI Key MKERTDKHCXSNQX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
3.40
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N2O6+2
MW 526.67
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
2153818 10.1021/jm00164a017 Mus musculus 13
2153818 10.1021/jm00164a017 Oryctolagus cuniculus 1
2153818 10.1021/jm00164a017 ADMET 1

Data from ChEMBL 36 via Core Engine