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Compound Detail

CHEMBL5095556

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CCC[C@@H](c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(F)cc2c2ncc(C(C)(C)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095556
Phase Preclinical
Structure Type MOL
InChI Key HBOUBVJSLHNSNT-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
5.58
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28F2N6O
MW 490.56
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine