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Compound Detail

CHEMBL284483

COFORMYCIN
🧪 Phase II
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🧪 Phase II
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284483
Name COFORMYCIN
Phase Phase II
Structure Type MOL
InChI Key YOOVTUPUBVHMPG-LODYRLCVSA-N

Known Names

Coformycin NSC-277817
4
Targets
12
Activities
1
Assay Types
0
PK Parameters
10
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

284.3
MW (Da)
-2.21
ALogP
9
HBA
5
HBD
132.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -mycin

Extended Properties

Molecular Formula C11H16N4O5
MW 284.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.19

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adenosine deaminase inhibitor INHIBITOR Adenosine deaminase ✓ ✓

Indications

Leukemia

Activity Summary

Ki 12 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine deaminase
CHEMBL1910
 Ki 11.0 9.964 0.0 5
Adenosine deaminase
CHEMBL2966
 Ki 11.0 11.0 0.0 1
Adenosine deaminase
CHEMBL4523370
 Ki 10.1 9.6233 0.1 3
AMP deaminase 3
CHEMBL2912
 Ki 5.52 5.52 3000.0 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 calf spleen adenosine deaminase was determined 14761206
Adenosine deaminase Ki = 0.01 nM 11.0 The compound was tested in vitro for inhibition of human erythrocytic adenosine ... 6604819
Adenosine deaminase Ki = 0.01 nM 11.0 Binding affinity to ADA (unknown origin) assessed as inhibition constant 34624823
Adenosine deaminase Ki = 0.08 nM 10.1 Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged AD... 30964283
Adenosine deaminase Ki = 0.1 nM 10.0 Compound was evaluated for the inhibition of adenosine deaminase 7310814
Adenosine deaminase Ki = 0.11 nM 9.96 Inhibition of human erythrocytes ADA assessed as equilibrium dissociation consta... 30964283
Adenosine deaminase Ki = 0.25 nM 9.6 Inhibition of Plasmodium falciparum ADA assessed as reduction in formation of am... 30964283
Adenosine deaminase Ki = 0.68 nM 9.17 Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged AD... 30964283
Adenosine deaminase Ki = 13.9 nM 7.86 Inhibition of human erythrocytes ADA assessed as reduction in formation of inosi... 30964283
AMP deaminase 3 Ki = 3000.0 nM 5.52 Inhibition of recombinant human E-type adenylate deaminase 11170651

Literature References

PubMed DOI Target Context # Activities
30964283 10.1021/acs.jmedchem.9b00182 Adenosine deaminase 5
1433220 10.1021/jm00100a025 Adenosine deaminase 1
6094812 10.1021/jm00378a021 ADMET 1
7310814 10.1021/jm00144a002 Adenosine deaminase 1
14761206 10.1021/jm0304257 Adenosine deaminase 1
6604819 10.1021/jm00364a022 Adenosine deaminase 1
6699873 10.1021/jm00369a008 Adenosine deaminase 1
11170651 10.1021/jm000355t AMP deaminase 3 1
23084905 10.1016/j.bmcl.2012.09.053 Adenosine deaminase 1
34624823 10.1016/j.ejmech.2021.113877 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine