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Compound Detail

CHEMBL53582

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CCCCc1ccc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53582
Phase Preclinical
Structure Type MOL
InChI Key CVLQZELNPOPTSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
8.14
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N2
MW 402.54
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
10406648 10.1016/s0960-894x(99)00291-7 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine