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Compound Detail

CHEMBL4103369

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

Basic Information

ChEMBL ID CHEMBL4103369
Phase Preclinical
Structure Type MOL
InChI Key TZGVRURHOAOFFP-HYMQDMCPSA-N
Parent Compound CHEMBL4115951
Active Moiety CHEMBL4115951
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.59
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClFN4O2
MW 420.92
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
28038328 10.1016/j.ejmech.2016.12.038 MV4-11 1

Data from ChEMBL 36 via Core Engine