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Compound Detail

CHEMBL2079482

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O=C(c1ccc(F)cc1)C1CCN([C@@H]2CN(C(=O)c3cccs3)CC[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079482
Phase Preclinical
Structure Type MOL
InChI Key CHRQSCDIUCAFHP-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.06
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN2O3S
MW 416.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine