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Compound Detail

CHEMBL1628268

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C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1.Cl

Basic Information

ChEMBL ID CHEMBL1628268
Phase Preclinical
Structure Type MOL
InChI Key BMXALUHUEGRRCH-JIDHJSLPSA-N
Parent Compound CHEMBL291657
Active Moiety CHEMBL291657
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.1
MW (Da)
7.52
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29Cl2FN2OS
MW 519.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.28

Activity Summary

Ki 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 8.7 8.7 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18672365 10.1016/j.bmcl.2008.07.063 Corticotropin-releasing factor receptor 1 1
21618986 10.1021/jm200365y Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine