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Compound Detail

CHEMBL3558416

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C[N+]12CC[C@@]34c5ccccc5N5[C@@H]6OC=C7C[N+]8(C)CC[C@]9%10c%11ccccc%11N([C@@H]%11OCC=C(C1)[C@H](C[C@@H]32)[C@@H]%11[C@H]54)[C@H]9[C@H]6[C@H]7C[C@@H]%108
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558416
Phase Preclinical
Structure Type MOL
InChI Key NXMGKYXJOBOBLU-FMHJOBEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

600.8
MW (Da)
4.51
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H44N4O2+2
MW 600.81
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 1.80

Data from ChEMBL 36 via Core Engine