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Compound Detail

CHEMBL3605653

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CC(C)COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC(C)(C)C)c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605653
Phase Preclinical
Structure Type MOL
InChI Key KBPQNCSXDYIZQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.01
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O4
MW 449.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
26190463 10.1016/j.bmc.2015.06.039 Unchecked 3

Data from ChEMBL 36 via Core Engine