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Compound Detail

CHEMBL1190117

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CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190117
Phase Preclinical
Structure Type MOL
InChI Key HSAIXSYFGMGWPJ-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

753.5
MW (Da)
7.71
ALogP
6
HBA
3
HBD
101.6
PSA (Ų)
0.05
QED
2
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H65ClN6O4+2
MW 753.47
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine