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Compound Detail

CHEMBL432908

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Nc1ncnc2c1ncn2[C@H]1CC[C@H](C(=O)NO)C1

Basic Information

ChEMBL ID CHEMBL432908
Phase Preclinical
Structure Type MOL
InChI Key OHXGDHOUMNKSMG-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
0.26
ALogP
7
HBA
3
HBD
119.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N6O2
MW 262.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 5
CHEMBL3189
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12747789 10.1021/jm0205604 Adenylate cyclase type 5 1

Data from ChEMBL 36 via Core Engine