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Compound Detail

CHEMBL4803633

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CC1(C)C(Cc2ccc(C(F)(F)F)cc2)C(=[N+]2CCCC2)C=CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803633
Phase Preclinical
Structure Type MOL
InChI Key AFKDPLINHMKBOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
5.92
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30F3N2+
MW 427.53
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine