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Compound Detail

CHEMBL78035

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Cc1cc(C)c(Nc2nc(C)nc(N3CC=CCC3)n2)c(C)c1

Basic Information

ChEMBL ID CHEMBL78035
Phase Preclinical
Structure Type MOL
InChI Key SWNUGVFSHQGFBA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.62
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5
MW 309.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.02

Activity Summary

Ki 2 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.98 5.98 1050.0 2

Activity Data Samples

Top measurements by pChEMBL value

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