Molecule Details
InChIKeyOHRURASPPZQGQM-GCCNXGTGSA-N
Compound NameRomidepsin
Canonical SMILESC/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)14
Pfam Stratification Cross-Family
Avg pChEMBL7.94
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06176
Drug NameRomidepsin
CAS Number128517-07-7
Groups approved investigational
ATC Codes L01XH02
DescriptionRomidepsin is a selective inhibitor of histone deacetylase, approved in the US in 2009 for the treatment of cutaneous T-cell lymphoma (CTCL) in patients who have received at least one prior systemic therapy.

Categories: Amino Acids, Peptides, and Proteins Antibiotics, Antineoplastic Antineoplastic Agents Antineoplastic and Immunomodulating Agents BSEP/ABCB11 Inhibitors Bile Salt Export Pump Inhibitors Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Depsipeptides Enzyme Inhibitors Highest Risk QTc-Prolonging Agents Histone Deacetylase Inhibitors Histone deacetylase (HDAC) inhibitors Narrow Therapeutic Index Drugs OAT1/SLC22A6 inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors OCT2 Inhibitors Organic Anion Transporter 1 Inhibitors Organic Anion Transporting Polypeptide 1B1 Inhibitors Organic Anion Transporting Polypeptide 1B3 Inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Peptides Peptides, Cyclic QTc Prolonging Agents
Cross-references: BindingDB: 19151 ChEBI: 61080 CHEMBL343448 ChemSpider: 10122002 Drugs Product Database (DPD): 21095 D06637 PharmGKB: PA166161306 PubChem:57515973 PubChem:310264861 RxCUI: 877510 Wikipedia: Romidepsin ZINC: ZINC000003935130
Target Activities (14)
Target Gene Organism Category Pfam pChEMBL Type Source
O75376 NCOR1 Homo sapiens Human PF15784 PF00249 9.8 Ki ChEMBL
Q969S8 HDAC10 Homo sapiens Human PF00850 8.7 IC50 ChEMBL
Q96DB2 HDAC11 Homo sapiens Human PF00850 8.7 IC50 ChEMBL
O15379 HDAC3 Homo sapiens Human PF00850 8.5 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 8.4 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 8.4 IC50 ChEMBL;BindingDB
Q9BY41 HDAC8 Homo sapiens Human PF00850 8.0 IC50 ChEMBL
Q8WUI4 HDAC7 Homo sapiens Human PF00850 7.8 IC50 ChEMBL
Q9UKV0 HDAC9 Homo sapiens Human PF12203 PF00850 7.8 IC50 ChEMBL
Q9Y618 NCOR2 Homo sapiens Human PF15784 PF00249 7.6 IC50 ChEMBL
O60885 BRD4 Homo sapiens Human PF17035 PF17105 PF00439 7.4 IC50 ChEMBL;BindingDB
Q9UQL6 HDAC5 Homo sapiens Human PF12203 PF00850 7.0 IC50 ChEMBL
Q9UBN7 HDAC6 Homo sapiens Human PF00850 PF02148 6.7 IC50 ChEMBL;BindingDB
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 6.3 IC50 ChEMBL;BindingDB
DrugBank Target Actions (17)
Target Gene Target Name Action Type
P04798 CYP1A1 Cytochrome P450 1A1 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
Q13547 HDAC1 Histone deacetylase 1 antagonist targets
Q92769 HDAC2 Histone deacetylase 2 antagonist targets
P56524 HDAC4 Histone deacetylase 4 inhibitor targets
Q13547 HDAC1 Histone deacetylase 1 inhibitor targets
Q92769 HDAC2 Histone deacetylase 2 inhibitor targets
Q9UBN7 HDAC6 Protein deacetylase HDAC6 inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
O95342 ABCB11 Bile salt export pump inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 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
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters