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Compound Detail

CHEMBL4116877

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CCCCNCCC(=O)Nc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116877
Phase Preclinical
Structure Type MOL
InChI Key RHVQYSQDDQSVGT-ATVHPVEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.98
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27FN4O2
MW 398.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine