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Compound Detail

CHEMBL4116781

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

Basic Information

ChEMBL ID CHEMBL4116781
Phase Preclinical
Structure Type MOL
InChI Key GYLOBJKLBXIJCS-RGEXLXHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
4.71
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31FN4O2
MW 426.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine