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Compound Detail

CHEMBL5426895

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CC1=NN(CCCC(=O)NCC(C)c2ccccc2)Cc2nn(-c3ccc(C)cc3)c(C)c21

Basic Information

ChEMBL ID CHEMBL5426895
Phase Preclinical
Structure Type MOL
InChI Key OBRTYBUCNRKZPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
4.73
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O
MW 443.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.24

Activity Summary

Kd 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
CHEMBL3860
Kd 8.03 8.03 9.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38229750 10.1021/acsmedchemlett.3c00161 MIA PaCa-2 4
38229750 10.1021/acsmedchemlett.3c00161 CAPAN-1 1
38229750 10.1021/acsmedchemlett.3c00161 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta 1

Data from ChEMBL 36 via Core Engine