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Compound Detail

CHEMBL6007658

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CCCCOc1cncc(-c2nnc3c(C)nc4ccc(CNC)cc4n23)c1

Basic Information

ChEMBL ID CHEMBL6007658
Phase Preclinical
Structure Type MOL
InChI Key YGIXIOXEHQAKBB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O
MW 376.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 7.04 7.04 91.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine