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Compound Detail

CHEMBL430530

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COc1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3CCCNCC3NC(=O)c3ccncc3)cc2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430530
Phase Preclinical
Structure Type MOL
InChI Key KGSQEYHTCBVKAX-FIWHBWSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
2.45
ALogP
7
HBA
4
HBD
129.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27FN4O5
MW 506.53
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine