General Information of Drug (ID: DMSH108)

Drug Name
R-roscovitine Drug Info
Synonyms
Seliciclib; roscovitine; 186692-46-6; R-Roscovitine; (R)-roscovitine; CYC202; CYC-202; CYC 202; 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; UNII-0ES1C2KQ94; Roscovitine (Seliciclib,CYC202); NSC 701554; AL-39256; Roscovitine; CHEMBL14762; 0ES1C2KQ94; CHEBI:45307; NSC701554; NSC-701554; (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol; (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; RRC; Rosco; M02443; BMK1-E12; CYC202, Seliciclib, R-roscovitine, Roscovitine; (2r)-2-{[6-(benzylamino)-9-isopropyl-9h-purin-2-yl]amino}-1-butanol; 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-(R)-1-butanol; 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Nasopharyngeal carcinoma 2B6B Investigative [3]
Cross-matching ID
PubChem CID
160355
ChEBI ID
CHEMBL14762
CAS Number
CAS 186692-46-6
TTD Drug ID
DMSH108
VARIDT Drug ID
DR01494
INTEDE Drug ID
DR1858

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DTP
DME
DOT
Drug Status:
Clinical Trial Drug(s)
Patented Agent(s)
Investigative Drug(s)
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Ro 31-7453 DM83QCL Solid tumour/cancer 2A00-2F9Z Phase 2 [14]
P276-00 DM9DJL2 Mantle cell lymphoma 2A85.5 Phase 2 [4]
P-276 DMMJUHD Breast cancer 2C60-2C65 Phase 2 [15]
RGB-286638 DMEGOQP Haematological malignancy 2B33.Y Phase 1 [16]
AG-024322 DMY4WVK Solid tumour/cancer 2A00-2F9Z Phase 1 [4]
PHA-793887 DM2Y4FG Solid tumour/cancer 2A00-2F9Z Phase 1 [17]
Oxazolyl methylthiothiazole derivative 1 DMZM6FW N. A. N. A. Patented [18]
PMID25991433-Compound-A1 DM89LF0 N. A. N. A. Patented [19]
KENPAULLONE DMAGVXW Discovery agent N.A. Patented [20]
Roscovitine derivative 1 DMD1G3Z N. A. N. A. Patented [18]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Samuraciclib DM54FQA Breast cancer 2C60-2C65 Phase 1/2 [21]
SNS-032 DMEITAS Solid tumour/cancer 2A00-2F9Z Phase 1 [22]
BTX-A51 DMC8XHQ Advanced solid tumour 2A00-2F9Z Phase 1 [23]
SY-1365 DMK48PM Solid tumour/cancer 2A00-2F9Z Phase 1 [24]
LY3405105 DMB51K2 Solid tumour/cancer 2A00-2F9Z Phase 1 [25]
SY-5609 DMNW3LH Solid tumour/cancer 2A00-2F9Z Phase 1 [26]
Oxazolyl methylthiothiazole derivative 1 DMZM6FW N. A. N. A. Patented [18]
Roscovitine derivative 1 DMD1G3Z N. A. N. A. Patented [18]
Tricyclic benzimidazole derivative 1 DM5SD9E N. A. N. A. Patented [18]
Pyrazolo-triazine derivative 2 DML6V78 N. A. N. A. Patented [18]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Ro 31-7453 DM83QCL Solid tumour/cancer 2A00-2F9Z Phase 2 [14]
PHA848125 DMS2Q9G Thymic cancer 2C27 Phase 2 [27]
TG02 DMZFIGQ Anaplastic astrocytoma 2A00.0 Phase 1/2 [28]
NUV-422 DMQJQNT Malignant glioma 2A00.0 Phase 1/2 [29]
RGB-286638 DMEGOQP Haematological malignancy 2B33.Y Phase 1 [16]
FN-1501 DM7BMD6 Solid tumour/cancer 2A00-2F9Z Phase 1 [30]
AG-024322 DMY4WVK Solid tumour/cancer 2A00-2F9Z Phase 1 [4]
PHA-793887 DM2Y4FG Solid tumour/cancer 2A00-2F9Z Phase 1 [17]
SNS-032 DMEITAS Solid tumour/cancer 2A00-2F9Z Phase 1 [22]
CYC065 DM9ODT6 Lymphoma 2A80-2A86 Phase 1 [24]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Flavopiridol DMKSUOI Acute myeloid leukaemia 2A60 Phase 2 [31]
TG02 DMZFIGQ Anaplastic astrocytoma 2A00.0 Phase 1/2 [24]
PF-06873600 DMRZHV6 Breast cancer 2C60-2C65 Phase 1 [24]
PMID26161698-Compound-44 DM8UPO3 N. A. N. A. Patented [18]
Purine derivative 4 DMYD5SQ N. A. N. A. Patented [18]
Indole-based analog 12 DM1CNRH N. A. N. A. Patented [18]
PMID26161698-Compound-10 DMXVCHZ N. A. N. A. Patented [18]
BS-194 DMLXFHD Solid tumour/cancer 2A00-2F9Z Investigative [32]
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Drug(s) Transported By P-glycoprotein 1 (ABCB1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Amoxicillin DMUYNEI Acute otitis media AB00 Approved [33]
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [34]
Methotrexate DM2TEOL Anterior urethra cancer Approved [35]
Folic Acid DMEMBJC Colorectal carcinoma Approved [36]
Fluorouracil DMUM7HZ Adenocarcinoma 2D40 Approved [35]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [35]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [37]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [35]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [38]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [39]
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Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [40]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [41]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [42]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [43]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [44]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [45]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [46]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [47]
Prasterone DM67VKL Chronic obstructive pulmonary disease CA22 Approved [41]
Verapamil DMA7PEW Angina pectoris BA40 Approved [48]
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Drug(s) Metabolized By Cytochrome P450 2B6 (CYP2B6)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [49]
Verapamil DMA7PEW Angina pectoris BA40 Approved [50]
Diclofenac DMPIHLS Chronic renal failure GB61.Z Approved [51]
Estrone DM5T6US Acne vulgaris ED80 Approved [52]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [53]
Irinotecan DMP6SC2 Adenocarcinoma 2D40 Approved [54]
Propofol DMB4OLE Anaesthesia 9A78.6 Approved [55]
Nicotine DMWX5CO Lung cancer 2C25.0 Approved [56]
Phenytoin DMNOKBV Epilepsy 8A60-8A68 Approved [57]
Amitriptyline DMK7F9S Depression 6A70-6A7Z Approved [58]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [59]
Gefitinib DM15F0X Colon adenocarcinoma Approved [60]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [61]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [62]
Etretinate DM2CZFA Keratosis ED56 Approved [63]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [64]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [65]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [66]
Quercetin DM3NC4M Obesity 5B81 Approved [67]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [68]
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Drug Name Drug ID Indication ICD 11 Highest Status REF
Indomethacin DMSC4A7 Bursitis Approved [69]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [70]
Gefitinib DM15F0X Colon adenocarcinoma Approved [71]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [72]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [73]
Trametinib DM2JGQ3 Melanoma 2C30 Approved [74]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [75]
Methotrexate DM2TEOL Anterior urethra cancer Approved [76]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [77]
Quercetin DM3NC4M Obesity 5B81 Approved [78]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [79]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [80]
Methotrexate DM2TEOL Anterior urethra cancer Approved [81]
Quercetin DM3NC4M Obesity 5B81 Approved [82]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [83]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [84]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [85]
Testosterone DM7HUNW Hot flushes GA30 Approved [86]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [86]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [87]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [88]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [89]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [90]
Gefitinib DM15F0X Colon adenocarcinoma Approved [60]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [72]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [91]
Etretinate DM2CZFA Keratosis ED56 Approved [63]
Prednisone DM2HG4X Acute asthma CA23 Approved [92]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [93]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [94]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Tretinoin DM49DUI Acne vulgaris ED80 Approved [84]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [95]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [96]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [97]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [98]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [99]
Arsenic DMTL2Y1 N. A. N. A. Approved [100]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [101]
Cytarabine DMZD5QR Acute lymphoblastic leukaemia 2A85 Approved [102]
Urethane DM7NSI0 N. A. N. A. Phase 4 [103]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [79]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [91]
Methotrexate DM2TEOL Anterior urethra cancer Approved [104]
Quercetin DM3NC4M Obesity 5B81 Approved [105]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [83]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [106]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [107]
Testosterone DM7HUNW Hot flushes GA30 Approved [86]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [86]
Leflunomide DMR8ONJ Arthritis FA20 Approved [108]
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Drug(s) Affected By Disabled homolog 2 (DAB2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [109]
Quercetin DM3NC4M Obesity 5B81 Approved [105]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [110]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [111]
Exemestane DM9HPW3 Hormonally-responsive breast cancer 2C60-2C65 Approved [112]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [113]
Testosterone enanthate DMB6871 N. A. N. A. Approved [114]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [97]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [98]
Ethanol DMDRQZU Chronic pain MG30 Approved [115]
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Drug(s) Affected By Cytochrome c (CYCS)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [116]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [117]
Gefitinib DM15F0X Colon adenocarcinoma Approved [118]
Leuprorelin acetate DM15HAT Prostate cancer 2C82.0 Approved [119]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [120]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [121]
Methotrexate DM2TEOL Anterior urethra cancer Approved [122]
Quercetin DM3NC4M Obesity 5B81 Approved [105]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [123]
Pefloxacin DM49IGF Gonococcal urethritis 1A70.0Y Approved [124]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase (CDK) TTMBO1Z NOUNIPROTAC Inhibitor [3]
Cyclin-dependent kinase 1 (CDK1) TTH6V3D CDK1_HUMAN Inhibitor [4]
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Inhibitor [4]
Cyclin-dependent kinase 7 (CDK7) TTQYF7G CDK7_HUMAN Inhibitor [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [6]
Cytochrome P450 2B6 (CYP2B6) DEPKLMQ CP2B6_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [7]
Casein kinase I isoform delta (CSNK1D) OTNF4S77 KC1D_HUMAN Gene/Protein Processing [8]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [9]
Cytochrome c (CYCS) OTBFALJD CYC_HUMAN Protein Interaction/Cellular Processes [10]
Disabled homolog 2 (DAB2) OTRMQTMZ DAB2_HUMAN Post-Translational Modifications [11]
E3 ubiquitin-protein ligase XIAP OT24GP9B XIAP_HUMAN Gene/Protein Processing [10]
Retinoblastoma-associated protein (RB1) OTQJUJMZ RB_HUMAN Gene/Protein Processing [12]
Retinoblastoma-like protein 1 (RBL1) OTDEBFYC RBL1_HUMAN Gene/Protein Processing [13]
Serine/threonine-protein kinase PLK1 (PLK1) OTRZX45T PLK1_HUMAN Gene/Protein Processing [13]

References

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