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Compound Detail

CHEMBL1184534

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O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184534
Phase Preclinical
Structure Type MOL
InChI Key YDFCMPPZBBZSDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

574.7
MW (Da)
3.81
ALogP
4
HBA
0
HBD
82.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H34N4O4+2
MW 574.68
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine