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Compound Detail

CHEMBL3598211

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CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2nc4ccccc4cc2C[C@@]3(O)[C@H]1C5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3598211
Phase Preclinical
Structure Type MOL
InChI Key BQOHCFQFDMHPBD-OOGIKFLQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.64
ALogP
5
HBA
2
HBD
65.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O3
MW 414.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.98

Data from ChEMBL 36 via Core Engine