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Compound Detail

CHEMBL88753

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CN(C)CCNC(=O)c1ccc2c(c1)Oc1ccc(C(=O)NCCN(C)C)cc1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88753
Phase Preclinical
Structure Type MOL
InChI Key RFBXYHGVTHJJMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
2.17
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.59
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 C22H28N4O4
MW 412.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
1310119 10.1021/jm00080a009 Unchecked 2
1310119 10.1021/jm00080a009 No relevant target 1
1310119 10.1021/jm00080a009 Nucleic Acid 1
1310119 10.1021/jm00080a009 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine