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Compound Detail

CHEMBL383032

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CN1CCCC1NCNc1ncccc1-c1nnc(Nc2ccc3c(c2)OCCO3)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383032
Phase Preclinical
Structure Type MOL
InChI Key ABACDXNMFUNGJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
2.66
ALogP
10
HBA
3
HBD
109.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N7O3
MW 423.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
16377187 10.1016/j.bmcl.2005.11.094 Tubulin 1
16377187 10.1016/j.bmcl.2005.11.094 A-431 1

Data from ChEMBL 36 via Core Engine