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Compound Detail

CHEMBL1185266

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C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185266
Phase Preclinical
Structure Type MOL
InChI Key WTUBKMQVMZSQAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

580.9
MW (Da)
6.96
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H52N2O2+2
MW 580.86
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine