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Compound Detail

CHEMBL261565

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CC(C)=CCc1[nH]c2cc(N)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261565
Phase Preclinical
Structure Type MOL
InChI Key RQTDJDRXMULVIU-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.29
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.25

Literature References

PubMed DOI Target Context # Activities
18321710 10.1016/j.bmc.2008.02.050 NON-PROTEIN TARGET 1
18321710 10.1016/j.bmc.2008.02.050 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine