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Compound Detail

CHEMBL4802532

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CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccc(F)cc3F)c3ccc(O)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802532
Phase Preclinical
Structure Type MOL
InChI Key UAPRMPRPJYALHB-OWWNRXNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
6.99
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35F2NO2
MW 491.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine