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Compound Detail

CHEMBL296977

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CCCCNc1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C

Basic Information

ChEMBL ID CHEMBL296977
Phase Preclinical
Structure Type MOL
InChI Key LMJQHDOSKSGDCE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
5.17
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4
MW 336.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL4649
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9171885 10.1021/jm960861b Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine