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Compound Detail

CHEMBL78203

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CCCN(CC1CC1)c1nc(CC)nc(Nc2c(C)cc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78203
Phase Preclinical
Structure Type MOL
InChI Key YJGFZCOOJHHKTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.73
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5
MW 353.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
8893828 10.1021/jm960148m Corticotropin-releasing factor receptor 1 1
10395475 10.1021/jm9900117 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine