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Compound Detail

CHEMBL5095873

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C[N+](CCO)(CCO)CCCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCC[N+](C)(CCO)CCO)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095873
Phase Preclinical
Structure Type MOL
InChI Key CKMJCCNHHDHWSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

737.1
MW (Da)
6.69
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H72N2O6+2
MW 737.08
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine