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Compound Detail

CHEMBL4116141

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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116141
Phase Preclinical
Structure Type MOL
InChI Key YELPRJIQGDXTPS-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.20
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23FN4O2
MW 382.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine