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Compound Detail

CHEMBL248577

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CCc1nc(N(C)[C@@H]2c3ccccc3C[C@@H]2OC)c(CC)nc1Oc1cc(C)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248577
Phase Preclinical
Structure Type MOL
InChI Key IOXFDQSXOBRTCR-JTHBVZDNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
4.85
ALogP
6
HBA
0
HBD
60.4
PSA (Ų)
0.55
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 C25H30N4O2
MW 418.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.34

Activity Summary

Ki 1 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
 Ki 5.9 5.9 1261.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Corticotropin-releasing factor receptor 1 Ki = 1261.0 nM 5.9 Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells 17888659

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