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Compound Detail

CHEMBL4594953

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O=C(NCc1ncccc1F)c1coc(CCN(CCc2nc3ccccc3[nH]2)CCc2nc3ccccc3[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594953
Phase Preclinical
Structure Type MOL
InChI Key XHMVLKFFIQTJHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
4.22
ALogP
7
HBA
3
HBD
128.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H29FN8O2
MW 552.61
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine