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Compound Detail

CHEMBL4597530

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CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@@H]1C[C@H]1c1cc(F)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597530
Phase Preclinical
Structure Type MOL
InChI Key OHSIGBOKYLDSHG-AZGAKELHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
5.92
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36FN3O2
MW 489.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine