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Compound Detail

CHEMBL1182211

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CC[N+](C)(CCCCCC(=O)N1CCC(CCCC2CCN(C(=O)CCCCC[N+](C)(CC)Cc3ccccc3OC)CC2)CC1)Cc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182211
Phase Preclinical
Structure Type MOL
InChI Key JJSKTTNIOYMAJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

763.2
MW (Da)
9.11
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H78N4O4+2
MW 763.16
Aromatic Rings 2
Heavy Atoms 55
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine