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Compound Detail

CHEMBL482723

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COc1cc(Cc2nc3c(N)ncnc3n2CCCC#CCO)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482723
Phase Preclinical
Structure Type MOL
InChI Key FNJUNWACJBGZHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
1.80
ALogP
9
HBA
2
HBD
117.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O4
MW 411.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
18487051 10.1016/j.bmc.2008.04.070 MCF7 1
18487051 10.1016/j.bmc.2008.04.070 SK-BR-3 1

Data from ChEMBL 36 via Core Engine