Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL760

ANAGRELIDE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL760
Name ANAGRELIDE
Phase Approved
Structure Type MOL
InChI Key OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Anagrelida Anagrelide
8
Targets
37
Activities
2
Assay Types
2
PK Parameters
20
Publications
2
Known Names
4
Indications

Molecular Properties

256.1
MW (Da)
1.93
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1997
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -grel-
USAN Year 1979

Extended Properties

Molecular Formula C10H7Cl2N3O
MW 256.09
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.85

Indications

Neoplasms Polycythemia Vera Thrombocythemia, Essential Myeloproliferative Disorders

ATC Classification

L01XX35
anagrelide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

EC50 25 meas. best 8.4
IC50 12 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
 IC50 9.05 7.3013 0.9 8
HeLa
CHEMBL399
 EC50 8.4 8.29 4.0 3
Rattus norvegicus
CHEMBL376
 EC50 7.7 6.9 20.0 4
Unchecked
CHEMBL612545
 IC50 7.58 7.58 26.0 1
Unchecked
CHEMBL612545
 EC50 7.57 6.5769 27.0 13
Oryctolagus cuniculus
CHEMBL374
 EC50 6.57 6.3733 270.0 3
P2Y purinoceptor 12
CHEMBL2001
 EC50 5.98 5.98 1050.0 1
Homo sapiens
CHEMBL372
 EC50 5.98 5.98 1050.0 1
Homo sapiens
CHEMBL372
 IC50 5.58 5.58 2600.0 1
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 IC50 4.47 4.47 34000.0 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 7.0 hr Rattus norvegicus
T1/2 19.0 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 0.9 nM 9.05 Inhibition of PDE3 (unknown origin) 37077378
HeLa EC50 = 4.0 nM 8.4 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 37077378
HeLa EC50 = 5.12 nM 8.29 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 37077378
HeLa EC50 = 6.67 nM 8.18 Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... 37077378
Rattus norvegicus EC50 = 20.0 nM 7.7 In vitro inhibition of collagen-induced blood platelet aggregation 7265124
Rattus norvegicus EC50 = 20.0 nM 7.7 In vitro inhibition of blood platelet aggregation (collagen) in rats 4045917
Unchecked IC50 = 26.0 nM 7.58 Inhibition of PDE2 (unknown origin) 33243532
Unchecked EC50 = 27.0 nM 7.57 Antiplatelet activity against ADP-induced Wistar rat platelet aggregation assess... 37077378
Phosphodiesterase 3 IC50 = 30.0 nM 7.52 Inhibition of human recombinant PDE3 expressed in Escherichia coli 37077378
Phosphodiesterase 3 IC50 = 50.0 nM 7.3 Inhibition of hydrolysis of c-AMP phosphodiesterase in human platelets 1654430
Phosphodiesterase 3 IC50 = 54.0 nM 7.27 Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (c... 1321910
Phosphodiesterase 3 IC50 = 80.0 nM 7.1 In vitro inhibition of cyclic AMP phosphodiesterase from human platelets. 3027338
Phosphodiesterase 3 IC50 = 80.0 nM 7.1 Inhibition of platelet cAMP phosphodiesterase 2846839
Unchecked EC50 = 80.0 nM 7.1 Antiplatelet aggregation activity in rhesus monkey platelet rich plasma assessed... 37077378
Unchecked EC50 = 80.0 nM 7.1 Antiplatelet aggregation activity in human rich plasma assessed as reduction in ... 37077378
Phosphodiesterase 3 IC50 = 82.0 nM 7.09 Inhibition of human blood platelet c-AMP phosphodiesterase 1311763
Unchecked EC50 = 150.0 nM 6.82 Antiplatelet aggregation activity in Sprague-Dawley rat platelet rich plasma ass... 37077378
Unchecked EC50 = 270.0 nM 6.57 Antiplatelet aggregation activity in Sprague-Dawley rat platelet rich plasma ass... 37077378
Oryctolagus cuniculus EC50 = 270.0 nM 6.57 Inhibition of platelet aggregation using collagen as activating agent in rabbit ... 1321910
Oryctolagus cuniculus EC50 = 270.0 nM 6.57 Inhibition of platelet aggregation induced by collagen in rabbit platelet rich p... 1654430

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 56
7265124 10.1021/jm00136a005 Rattus norvegicus 19
37077378 10.1021/acsmedchemlett.3c00092 Unchecked 16
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
4045917 10.1021/jm00148a003 Rattus norvegicus 4
1321910 10.1021/jm00092a019 Oryctolagus cuniculus 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
1321910 10.1021/jm00092a019 Canis familiaris 3
37077378 10.1021/acsmedchemlett.3c00092 HeLa 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
1654430 10.1021/jm00113a033 Oryctolagus cuniculus 2
37077378 10.1021/acsmedchemlett.3c00092 Phosphodiesterase 3 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine