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Compound Detail

CHEMBL5095514

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

Basic Information

ChEMBL ID CHEMBL5095514
Phase Preclinical
Structure Type MOL
InChI Key WQTCFJOZXFVNCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

705.1
MW (Da)
8.74
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H72N2O4+2
MW 705.08
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine