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Compound Detail

CHEMBL1205488

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CCn1nnc(C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205488
Phase Preclinical
Structure Type MOL
InChI Key NEAHCMMTZXVNNI-XICOBVEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.07
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.39
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 C24H24F2N4O4
MW 470.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine