Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL583153

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583153
Phase Preclinical
Structure Type MOL
InChI Key HGVBNYJGSACRNS-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.8
MW (Da)
4.61
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.74
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 C18H21ClF2N4O2
MW 398.84
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 9.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
 IC50 9.68 9.68 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 IC50 = 0.21 nM 9.68 Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogen... 19954247

Literature References

PubMed DOI Target Context # Activities
19954247 10.1021/jm900716v Liver microsomes 2
19954247 10.1021/jm900716v Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine