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Compound Detail

CHEMBL604966

CONFORMYCIN
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OC[C@@H]1OC(n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL604966
Name CONFORMYCIN
Phase Preclinical
Structure Type MOL
InChI Key QZSADUODEOMMSN-RTTOTBAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
-0.98
ALogP
8
HBA
4
HBD
120.3
PSA (Ų)
0.55
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 C12H17N3O5
MW 283.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.51

Activity Summary

Ki 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine deaminase
CHEMBL1910
Ki 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine deaminase Ki = 0.01 nM 11.0 Binding affinity towards Adenosine deaminase 8568817

Literature References

PubMed DOI Target Context # Activities
8568817 10.1021/jm9505674 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine