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Compound Detail

CHEMBL3558423

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C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558423
Phase Preclinical
Structure Type MOL
InChI Key VEBXTZDIMGDKGV-UFOQKJSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

638.9
MW (Da)
7.69
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H54N4+2
MW 638.94
Aromatic Rings 2
Heavy Atoms 48
NP-Likeness 0.93

Data from ChEMBL 36 via Core Engine