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Compound Detail

CHEMBL1191000

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CN(C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191000
Phase Preclinical
Structure Type MOL
InChI Key NRBACELXLTZJDX-LOSJGSFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.36
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.58
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 C27H28F2N2O2
MW 450.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine