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Compound Detail

CHEMBL250615

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CCCN(CCC)c1nc(C)c(Oc2cc(C)ccn2)nc1C

Basic Information

ChEMBL ID CHEMBL250615
Phase Preclinical
Structure Type MOL
InChI Key LABGPXJCAKDDDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.22
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N4O
MW 314.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 5.93 5.93 1185.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17888659 10.1016/j.bmcl.2007.09.008 Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine