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Compound Detail

CHEMBL1807844

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CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807844
Phase Preclinical
Structure Type MOL
InChI Key PELCNGWAYFMHJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.42
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O2
MW 389.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
21741236 10.1016/j.bmcl.2011.06.047 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine