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Compound Detail

CHEMBL6069996

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C[n+]1c(/C=C/c2cc3ccccc3[nH]2)cc(/C=C2\Sc3ccccc3N2CCCN2CCC(C(F)(F)F)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6069996
Phase Preclinical
Structure Type MOL
InChI Key HAEBIXDIEHAWEB-LAKKEJQSSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

625.8
MW (Da)
8.89
ALogP
3
HBA
1
HBD
26.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H36F3N4S+
MW 625.78
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine