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Compound Detail

CHEMBL4116336

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N[C@@H](CC(=O)N1CC[C@@H]2[C@@H](CCc3nnc(Cc4ccccc4)n32)C1)Cc1cc(F)c(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116336
Phase Preclinical
Structure Type MOL
InChI Key OKUNCTNHBMGBKA-GEQKSPFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
3.58
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28F3N5O
MW 483.54
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine