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Compound Detail

CHEMBL4111394

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CC(C)Oc1ccc(-c2nn([C@H](C)c3oc4ccccc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4111394
Phase Preclinical
Structure Type MOL
InChI Key FHEVWNCATJTNQI-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.6
MW (Da)
6.52
ALogP
8
HBA
1
HBD
109.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25F2N5O3
MW 553.57
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine