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Compound Detail

CHEMBL1205500

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CC(C)n1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205500
Phase Preclinical
Structure Type MOL
InChI Key XJYKQLOZROGRRD-MSQWQTORSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
3.79
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F2N4O4
MW 496.51
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine