Molecule Details
InChIKeyHUNGUWOZPQBXGX-UHFFFAOYSA-N
Compound NameTirbanibulin
Canonical SMILESO=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.22
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06137
Drug NameTirbanibulin
CAS Number897016-82-9
Groups approved investigational
ATC Codes D06BX03
DescriptionTirbanibulin (KX-O1 or KX2–391) is a dual inhibitor of Src Kinase and tubulin.[A225726] On December 14, 2020, tirbanibulin was approved by the FDA for the topical treatment of actinic keratosis on the face or scalp. It is marketed under the brand name Klisyri.[L27806] Actinic keratosis is a chronic ...

Categories: Acetates Acids, Acyclic Amides Antineoplastic Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (weak) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (weak) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Enzyme Inhibitors Fatty Acids Fatty Acids, Volatile Keratosis, Actinic, drug therapy Kinase Inhibitor Lipids MATE 1 Inhibitors MATE 2 Inhibitors MATE inhibitors Microtubule Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors OCT1 inhibitors OCT2 Inhibitors Oxazines Tubulin Inhibiting Agent Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50303801 CHEMBL571546 ChemSpider: 24633341 Drugs Product Database (DPD): 23842 PDB: DN0 RxCUI: 2471078 Wikipedia: Tirbanibulin ZINC: ZINC000043152787
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 7.9 IC50 ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 7.0 IC50 ChEMBL;BindingDB
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 7.0 IC50 ChEMBL;BindingDB
P11274 BCR Homo sapiens Human PF09036 PF00168 PF19057 PF00620 PF00621 7.0 IC50 ChEMBL
DrugBank Target Actions (17)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P07437 TUBB Tubulin beta chain inhibitor targets
P12931 SRC Proto-oncogene tyrosine-protein kinase Src inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
O15245 SLC22A1 Solute carrier family 22 member 1 inhibitor transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 inhibitor transporters
Q96FL8 SLC47A1 Multidrug and toxin extrusion protein 1 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters