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Compound Detail

CHEMBL3644827

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Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(Cc3ccccc3)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3644827
Phase Preclinical
Structure Type MOL
InChI Key RNIPEWHRLMDRAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.3
MW (Da)
3.63
ALogP
6
HBA
1
HBD
68.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FIN4O2
MW 502.29
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine