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Compound Detail

CHEMBL332605

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CCCN(CCC)c1cc(C)nc2c(-c3ccc(C(=O)O)cc3)c(C)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332605
Phase Preclinical
Structure Type MOL
InChI Key BMIVXJKFBLBVFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
4.34
ALogP
5
HBA
1
HBD
70.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
15203140 10.1016/j.bmcl.2004.05.019 Corticotropin-releasing factor receptor 1 1
15203140 10.1016/j.bmcl.2004.05.019 No relevant target 1

Data from ChEMBL 36 via Core Engine