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Compound Detail

CHEMBL4596938

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N=C(N)N(CCCCN1CCC(CCCCCCCOc2ccccc2)CC1)Cc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596938
Phase Preclinical
Structure Type MOL
InChI Key VWWCQBHXPXUJFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

546.7
MW (Da)
7.31
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H45F3N4O
MW 546.72
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine