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Compound Detail

CHEMBL138154

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

Basic Information

ChEMBL ID CHEMBL138154
Phase Preclinical
Structure Type MOL
InChI Key DLZUOIIKMYLNAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
6.10
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25Cl2N5
MW 406.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.38

Activity Summary

Ki 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.8 8.8 1.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10669572 10.1021/jm9904351 Rattus norvegicus 2
10669572 10.1021/jm9904351 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine