Molecule Details
InChIKeyIIXWYSCJSQVBQM-LLVKDONJSA-N
Compound NameLorlatinib
Canonical SMILESC[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)18
Pfam Stratification Cross-Family
Avg pChEMBL8.02
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12130
Drug NameLorlatinib
CAS Number1454846-35-5
Groups approved investigational
ATC Codes L01ED05
DescriptionLorlatinib is a third-generation ALK tyrosine kinase inhibitor (TKI) for patients with ALK-positive metastatic non-small cell lung cancer[L39905] which was first approved by the US FDA in November of 2018. It was subsequently approved by the EMA in 2019 for the treatment of select patients with prev...

Categories: Amides Amines Anaplastic lymphoma kinase (ALK) inhibitors Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Kinase Inhibitor Lactams MATE 1 Inhibitors MATE inhibitors OAT3/SLC22A8 Inhibitors Organic Cation Transporter 1 Inhibitors P-glycoprotein inducers Protein Kinase Inhibitors Pyridines ROS1 tyrosine kinase inhibitors Tyrosine Kinase Inhibitors UGT1A3 substrates
Cross-references: BindingDB: 50018830 ChEBI: 143117 CHEMBL3286830 ChemSpider: 32813339 Drugs Product Database (DPD): 23119 PDB: 5P8 PubChem:71731823 PubChem:347828429 RxCUI: 2103164 Wikipedia: Lorlatinib ZINC: ZINC000098208524
Target Activities (18)
Target Gene Organism Category Pfam pChEMBL Type Source
O95436 SLC34A2 Homo sapiens Human PF02690 9.7 IC50 ChEMBL;BindingDB
P04233 CD74 Homo sapiens Human PF09307 PF08831 PF00086 9.6 IC50 ChEMBL
P08922 ROS1 Homo sapiens Human PF00041 PF07714 9.6 Ki ChEMBL;BindingDB
P29376 LTK Homo sapiens Human PF12810 PF07714 8.6 IC50 ChEMBL;BindingDB
P16591 FER Homo sapiens Human PF00611 PF07714 PF00017 8.5 IC50 ChEMBL;BindingDB
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 8.3 IC50 ChEMBL;BindingDB
P07332 FES Homo sapiens Human PF00611 PF07714 PF00017 8.2 IC50 ChEMBL;BindingDB
Q9HC35 EML4 Homo sapiens Human PF23409 PF23414 PF03451 7.9 IC50 ChEMBL
Q14289 PTK2B Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 7.8 IC50 ChEMBL;BindingDB
Q05397 PTK2 Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 7.8 IC50 ChEMBL;BindingDB
Q07912 TNK2 Homo sapiens Human PF09027 PF11555 PF07714 PF22931 PF14604 7.8 IC50 ChEMBL;BindingDB
Q16620 NTRK2 Homo sapiens Human PF07679 PF13855 PF16920 PF01462 PF07714 7.6 Ki ChEMBL;BindingDB
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 7.6 IC50 ChEMBL;BindingDB
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 7.5 IC50 ChEMBL
Q16288 NTRK3 Homo sapiens Human PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 7.3 IC50 ChEMBL;BindingDB
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 7.3 IC50 ChEMBL;BindingDB
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.9 Ki ChEMBL
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.3 Ki ChEMBL
DrugBank Target Actions (19)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A Subfamily inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A Subfamily substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P35503 P35503 UDP-glucuronosyltransferase 1A3 substrate enzymes
P16591 FER Tyrosine-protein kinase Fer binder targets
P04629 NTRK1 High affinity nerve growth factor receptor inhibitor targets
P07332 FES Tyrosine-protein kinase Fes/Fps inhibitor targets
P08922 ROS1 Proto-oncogene tyrosine-protein kinase ROS inhibitor targets
Q05397 PTK2 Focal adhesion kinase 1 inhibitor targets
Q07912 TNK2 Activated CDC42 kinase 1 inhibitor targets
Q14289 PTK2B Protein-tyrosine kinase 2-beta inhibitor targets
Q16288 NTRK3 NT-3 growth factor receptor inhibitor targets
Q16620 NTRK2 BDNF/NT-3 growth factors receptor inhibitor targets
Q6J9G0 Q6J9G0 Tyrosine-protein kinase STYK1 inhibitor targets
Q9UM73 ALK ALK tyrosine kinase receptor inhibitor targets