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Compound Detail

CHEMBL3808651

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CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(C)(C)O5)cc4)CC3)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3808651
Phase Preclinical
Structure Type MOL
InChI Key PPAWWZRRZILRLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
3.86
ALogP
9
HBA
0
HBD
74.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N5O4
MW 507.64
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
27014922 10.1021/acs.jmedchem.5b01718 Molecular identity unknown 3
27014922 10.1021/acs.jmedchem.5b01718 HUVEC 1
27014922 10.1021/acs.jmedchem.5b01718 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine