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Compound Detail

CHEMBL28873

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

Basic Information

ChEMBL ID CHEMBL28873
Phase Preclinical
Structure Type MOL
InChI Key MLTZJOCZZUFEDH-ZQRQZVKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.38
ALogP
7
HBA
4
HBD
112.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN4O4
MW 492.55
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine