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Compound Detail

CHEMBL67483

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CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)nn(CCC)c12

Basic Information

ChEMBL ID CHEMBL67483
Phase Preclinical
Structure Type MOL
InChI Key QONTVKLGAMDQPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.6
MW (Da)
5.76
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.49
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 C24H35N5
MW 393.58
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
Ki 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12127521 10.1016/s0960-894x(02)00358-x Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine