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Compound Detail

CHEMBL3559129

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C[N+](C)(CC#CCOC1=NOCC1)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559129
Phase Preclinical
Structure Type MOL
InChI Key YZTQBESUWUDOIZ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.6
MW (Da)
4.93
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.18
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 C32H38BrN4O4+
MW 622.58
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine