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Compound Detail

CHEMBL1807846

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

Basic Information

ChEMBL ID CHEMBL1807846
Phase Preclinical
Structure Type MOL
InChI Key VXADBBUKZCZGCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.17
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.71
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 C21H27N5O
MW 365.48
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.90

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