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Compound Detail

CHEMBL4226520

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CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccc[nH]3)c2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226520
Phase Preclinical
Structure Type MOL
InChI Key BGTCGJQZQQAVEI-ZAORYEFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
1.30
ALogP
4
HBA
4
HBD
127.3
PSA (Ų)
0.36
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 C24H23N5O3
MW 429.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.14

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