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Compound Detail

CHEMBL4597527

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Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)oc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597527
Phase Preclinical
Structure Type MOL
InChI Key CZIVUSJISIAXJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.3
MW (Da)
4.14
ALogP
5
HBA
2
HBD
72.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2F2N4O2
MW 455.29
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine