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Compound Detail

CHEMBL3545365

ALTIRATINIB
🧪 Phase II
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🧪 Phase II
O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545365
Name ALTIRATINIB
Phase Phase II
Structure Type MOL
InChI Key GNNDEPIMDAZHRQ-UHFFFAOYSA-N

Known Names

Altiratinib DCC-2701 DP-5164
10
Targets
17
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications
4
Mechanisms

Molecular Properties

510.5
MW (Da)
5.00
ALogP
5
HBA
3
HBD
109.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2014

Extended Properties

Molecular Formula C26H21F3N4O4
MW 510.47
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.47

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓
Tyrosine-protein kinase TIE-2 inhibitor INHIBITOR Angiopoietin-1 receptor ✓ ✓
Vascular endothelial growth factor receptor 2 inhibitor INHIBITOR Vascular endothelial growth factor receptor 2 ✓ ✓
Neurotrophic tyrosine kinase receptor inhibitor INHIBITOR Neurotrophic tyrosine kinase receptor ✓ ✓

Indications

Neoplasms Neoplasms

Activity Summary

IC50 17 meas. best 9.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 9.16 9.16 0.7 1
NT-3 growth factor receptor
CHEMBL5608
 IC50 9.08 8.58 0.8 2
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 9.07 9.07 0.8 2
SK-N-SH
CHEMBL614924
 IC50 8.92 8.92 1.2 1
KM12
CHEMBL614709
 IC50 8.85 8.85 1.4 1
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.57 8.57 2.7 3
BDNF/NT-3 growth factors receptor
CHEMBL4898
 IC50 8.34 8.34 4.6 2
Angiopoietin-1 receptor
CHEMBL4128
 IC50 8.1 8.1 8.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.04 8.04 9.2 2
Unchecked
CHEMBL612545
 IC50 8.04 8.04 9.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 0.69 nM 9.16 Antiproliferative activity against human K562 cells 30188734
NT-3 growth factor receptor IC50 = 0.83 nM 9.08 Inhibition of TrkC (unknown origin) 27299736
High affinity nerve growth factor receptor IC50 = 0.85 nM 9.07 Inhibition of TrkA (unknown origin) 27299736
High affinity nerve growth factor receptor IC50 = 0.85 nM 9.07 Inhibition of TRKA (unknown origin) 30188734
SK-N-SH IC50 = 1.2 nM 8.92 Antiproliferative activity against human SK-N-SH cells 30188734
KM12 IC50 = 1.4 nM 8.85 Antiproliferative activity against human KM12 cells 30188734
Hepatocyte growth factor receptor IC50 = 2.7 nM 8.57 Inhibition of cMET (unknown origin) 30188734
Hepatocyte growth factor receptor IC50 = 2.7 nM 8.57 Inhibition of c-MET (unknown origin) 30248654
Hepatocyte growth factor receptor IC50 = 2.7 nM 8.57 Inhibition of MET (unknown origin) 27299736
BDNF/NT-3 growth factors receptor IC50 = 4.6 nM 8.34 Inhibition of TrkB (unknown origin) 27299736
BDNF/NT-3 growth factors receptor IC50 = 4.6 nM 8.34 Inhibition of TRKB (unknown origin) 30188734
Angiopoietin-1 receptor IC50 = 8.0 nM 8.1 Inhibition of TIE-2 (unknown origin) 27299736
Angiopoietin-1 receptor IC50 = 8.0 nM 8.1 Inhibition of TIE2 (unknown origin) 30188734
NT-3 growth factor receptor IC50 = 8.3 nM 8.08 Inhibition of TRKC (unknown origin) 30188734
Unchecked IC50 = 9.2 nM 8.04 Inhibition of VEGFR (unknown origin) 27299736
Vascular endothelial growth factor receptor 2 IC50 = 9.2 nM 8.04 Inhibition of VEGFR2 (unknown origin) 30248654
Vascular endothelial growth factor receptor 2 IC50 = 9.2 nM 8.04 Inhibition of VEGFR2 (unknown origin) 30188734

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
30188734 10.1021/acs.jmedchem.8b01092 SK-N-SH 1
- 10.6019/EOS300108 HepG2 1
30188734 10.1021/acs.jmedchem.8b01092 High affinity nerve growth factor receptor 1
30188734 10.1021/acs.jmedchem.8b01092 BDNF/NT-3 growth factors receptor 1
30188734 10.1021/acs.jmedchem.8b01092 NT-3 growth factor receptor 1
30188734 10.1021/acs.jmedchem.8b01092 Hepatocyte growth factor receptor 1
30188734 10.1021/acs.jmedchem.8b01092 Angiopoietin-1 receptor 1
30188734 10.1021/acs.jmedchem.8b01092 K562 1
27299736 10.1021/acs.jmedchem.6b00472 Unchecked 1
30188734 10.1021/acs.jmedchem.8b01092 KM12 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
30248654 10.1016/j.ejmech.2018.09.050 Vascular endothelial growth factor receptor 2 1
30248654 10.1016/j.ejmech.2018.09.050 Hepatocyte growth factor receptor 1
27299736 10.1021/acs.jmedchem.6b00472 Hepatocyte growth factor receptor 1
27299736 10.1021/acs.jmedchem.6b00472 Angiopoietin-1 receptor 1
27299736 10.1021/acs.jmedchem.6b00472 High affinity nerve growth factor receptor 1
27299736 10.1021/acs.jmedchem.6b00472 BDNF/NT-3 growth factors receptor 1

Data from ChEMBL 36 via Core Engine