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Compound Detail

CHEMBL138155

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CCC(COC)Nc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12

Basic Information

ChEMBL ID CHEMBL138155
Phase Preclinical
Structure Type MOL
InChI Key MMQWCZIMBJFXSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
4.55
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.66
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 C18H21Cl2N5O
MW 394.31
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.47

Activity Summary

Ki 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10669572 10.1021/jm9904351 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine