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Compound Detail

CHEMBL1206951

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Cc1ccc(C(=C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2nnnn2C)c2ccc(C)cc2F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206951
Phase Preclinical
Structure Type MOL
InChI Key BQWLBHDIOOUYSS-QOCAVEGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
3.21
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F2N4O4
MW 484.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine