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Compound Detail

CHEMBL113142

ZM-241385
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Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113142
Name ZM-241385
Phase Preclinical
Structure Type MOL
InChI Key PWTBZOIUWZOPFT-UHFFFAOYSA-N
9
Targets
124
Activities
4
Assay Types
3
PK Parameters
20
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
1.72
ALogP
9
HBA
3
HBD
127.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15N7O2
MW 337.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

Ki 93 meas. best 10.0
IC50 15 meas. best 9.17
Kd 15 meas. best 9.69
EC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A2a
CHEMBL251
 Ki 10.0 8.8959 0.1 32
Adenosine receptor A2a
CHEMBL251
 Kd 9.69 9.1464 0.2 14
Unchecked
CHEMBL612545
 Ki 9.28 9.28 0.5 1
Adenosine receptor A2a
CHEMBL251
 IC50 9.17 8.2245 0.7 11
Adenosine receptor A2a
CHEMBL302
 Ki 9.05 8.5645 0.9 11
Adenosine receptor A2b
CHEMBL255
 Ki 7.71 7.3092 19.3 13
Adenosine receptor A2b
CHEMBL255
 IC50 7.32 7.21 48.0 3
Adenosine receptor A1
CHEMBL226
 Ki 6.75 6.3567 178.0 18
Adenosine receptor A1
CHEMBL226
 Kd 6.61 6.61 245.4 1
Adenosine receptor A3
CHEMBL256
 Ki 6.52 6.1282 300.0 11
Adenosine receptor A1
CHEMBL318
 Ki 6.38 6.2525 420.0 4
Sigma intracellular receptor 2
CHEMBL4105907
 Ki 5.97 5.97 1067.1 1
Zika virus
CHEMBL4296612
 IC50 5.97 5.97 1066.6 1
Adenosine receptor A2a
CHEMBL251
 EC50 5.36 5.36 4330.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.0849 - Rattus norvegicus
Fu 0.0647 - Rattus norvegicus
T1/2 1.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine receptor A2a Ki = 0.1 nM 10.0 Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells ... 16250647
Adenosine receptor A2a Kd = 0.206 nM 9.69 A2A protein embedded into nanodisc was immobilized via 1D4 antibody on the CM5 s... -
Adenosine receptor A2a Kd = 0.2363 nM 9.63 A2A protein embedded into nanodisc was immobilized via His-tag on NTA chip. Smal... -
Adenosine receptor A2a Kd = 0.286 nM 9.54 Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F... 35859869
Adenosine receptor A2a Kd = 0.2897 nM 9.54 The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltos... -
Adenosine receptor A2a Ki = 0.3 nM 9.52 Binding affinity towards adenosine A2A receptor 16153830
Adenosine receptor A2a Ki = 0.302 nM 9.52 Antagonist activity at A2AR (unknown origin) 31855793
Adenosine receptor A2a Kd = 0.3244 nM 9.49 The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltos... -
Adenosine receptor A2a Kd = 0.3465 nM 9.46 The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltos... -
Adenosine receptor A2a Ki = 0.4 nM 9.4 Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expres... 27312113
Adenosine receptor A2a Kd = 0.3985 nM 9.4 The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltos... -
Adenosine receptor A2a Ki = 0.395 nM 9.4 Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F... 35859869
Adenosine receptor A2a Kd = 0.5012 nM 9.3 Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expres... 21661720
Unchecked Ki = 0.53 nM 9.28 Displacement of [3H]-ZM241385 from human adenosine receptor A2a StaR2-bRIL mutan... 27312113
Adenosine receptor A2a Kd = 0.6019 nM 9.22 The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltos... -
Adenosine receptor A2a IC50 = 0.678 nM 9.17 Antagonist activity against human adenosine A2A receptor expressed in CHO cells ... 27933962
Adenosine receptor A2a Ki = 0.8 nM 9.1 Binding affinity against human Adenosine A2a receptor (hA2a) 15149696
Adenosine receptor A2a Ki = 0.8 nM 9.1 Antagonist activity at human adenosine 2A receptor 32667814
Adenosine receptor A2a Ki = 0.8 nM 9.1 Binding affinity to human adenosine A2A receptor 18637670
Adenosine receptor A2a Ki = 0.8 nM 9.1 Inhibition of human recombinant adenosine receptor A2a 24164628

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885741 Adenosine receptor A2a 38
- 10.6019/CHEMBL4689842 HEK-293T 10
21661720 10.1021/jm2003798 Adenosine receptor A2a 9
- 10.6019/CHEMBL4689842 Fibroblast 9
- 10.6019/CHEMBL4689842 U2OS 8
39178585 10.1016/j.bmc.2024.117881 LX-2 8
27312113 10.1021/acs.jmedchem.6b00653 Adenosine receptor A2a 7
27933962 10.1021/acs.jmedchem.6b01068 Adenosine receptor A2a 6
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 5
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 5
35859869 10.1021/acsmedchemlett.2c00099 Adenosine receptor A2a 5
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 5
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 5
29909340 10.1016/j.ejmech.2018.06.020 Adenosine receptor A2a 5
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 5
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 5
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 5
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 5
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 5
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 5

Data from ChEMBL 36 via Core Engine