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Compound Detail

CHEMBL4597985

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CCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCC1CC[N+](C)(C)CC1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597985
Phase Preclinical
Structure Type MOL
InChI Key VHHJGMHKELVSHA-XQNSMLJCSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
6.97
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38F3N2O5+
MW 587.66
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine