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Compound Detail

CHEMBL1165539

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CC(C)(C)OC(=O)NCCCn1ccc(=O)c2c1ncn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165539
Phase Preclinical
Structure Type MOL
InChI Key FQLNKFSRNDMUCE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.16
ALogP
6
HBA
1
HBD
78.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O3
MW 382.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.15

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20207054 10.1016/j.ejmech.2010.02.033 Unchecked 2

Data from ChEMBL 36 via Core Engine