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Compound Detail

CHEMBL441163

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Cc1ccc(-c2nc3ccc(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)cc3nc2-c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441163
Phase Preclinical
Structure Type MOL
InChI Key KIAYJDVKPBSVLR-PMERELPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
6.49
ALogP
4
HBA
3
HBD
108.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H28N4O3
MW 540.62
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
17258458 10.1016/j.bmcl.2006.12.103 Unchecked 1

Data from ChEMBL 36 via Core Engine