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Compound Detail

CHEMBL4225120

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O=C(c1cccc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)c1)N1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225120
Phase Preclinical
Structure Type MOL
InChI Key DNBWCAILCPLKEF-MZGHLJKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
-0.04
ALogP
4
HBA
2
HBD
98.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O3
MW 374.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
29571653 10.1016/j.bmc.2018.03.005 Tubulin 1
29571653 10.1016/j.bmc.2018.03.005 BXPC-3 1
29571653 10.1016/j.bmc.2018.03.005 No relevant target 1

Data from ChEMBL 36 via Core Engine