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Compound Detail

CHEMBL3039682

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COc1ccc2c(c1)c1cc[n+]2Cc2cccc(c2)C[n+]2ccc(c3cc(OC)ccc32)NCc2ccc(cc2)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039682
Phase Preclinical
Structure Type MOL
InChI Key NLRBNHGXOMPHNV-YEQLPCBTSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
6.22
ALogP
4
HBA
2
HBD
50.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H34N4O2+2
MW 554.69
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 0.39

Data from ChEMBL 36 via Core Engine