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Compound Detail

CHEMBL2219730

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COc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219730
Phase Preclinical
Structure Type MOL
InChI Key QQDCYZLBFDMFCC-ILBGXUMGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.74
ALogP
3
HBA
2
HBD
33.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O
MW 386.54
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine