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Compound Detail

CHEMBL183163

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CCc1nc2n(c1C(=O)NN1CCNCC1)CCN2c1c(C)cc(C)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183163
Phase Preclinical
Structure Type MOL
InChI Key YKROORXKXCHMIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
2.07
ALogP
6
HBA
2
HBD
65.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N6O
MW 382.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
15990298 10.1016/j.bmcl.2005.05.117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine