Details of the Drug

General Information of Drug (ID: DMU2A6D)

Drug Name
PF-4217903
Synonyms
2-(4-(1-(Quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; PF-04217903; 956905-27-4; PF04217903; PF 04217903; UNII-CYJ9ATV1IJ; CYJ9ATV1IJ; 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; CHEMBL2001019; 1159490-85-3; aka PF-04217903; C19H16N8O; 2-[4-(3-Quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-ethanol; 2-(4-(1-(Quinolin-6-ylmethyl)-1H-(1,2,3)triazolo(4,5-b)pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol; 3zxz; PDMUGYOXRHVNMO-UHFFFAOYSA-N; PF-04217903
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.4
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H16N8O
IUPAC Name
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
Canonical SMILES
C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1
InChI
InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
InChIKey
PDMUGYOXRHVNMO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17754438
ChEBI ID
CHEBI:91425
CAS Number
956905-27-4
UNII
CYJ9ATV1IJ
DrugBank ID
DB12848
TTD ID
D01LCC
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Met (MET) TTNDSF4 MET_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aldehyde oxidase (AOX1) OT2FZP6H AOXA_HUMAN Regulation of Drug Effects [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene c-Met (MET) DTT MET 1.08E-03 -0.24 -0.4
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Experimental Cancer Drug Sensitivity Information

Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Breast Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MCF-7 CTRP1 8.5928 10.9647 6.1875 3.3303
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
GaMG CTRP1 6.5392 9.7578 3.7986 6.4322
LN-229 CTRP1 8.9157 13.2694 5.3309 9.0354
Cancer Drug Sensitivity Data Curated from 6 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HEC-108 CTRP1 6.7119 9.1795 4.1584 3.3072
HEC-59 CTRP1 7.0663 8.6619 4.533 0.634
KLE CTRP1 7.2937 9.4639 4.3242 1.3957
JHUEM-2 CTRP1 8.2024 10.0822 6.3603 2.85
HEC-151 CTRP1 9.5895 15.089 4.9056 10.31
Ishikawa (Heraklio) 02 ER- CTRP1 6.3876 7.6295 4.6408 0.7349
⏷ Show the Full List of 6 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 19 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
BL-70 CTRP1 5.9018 9.1392 3.6714 9.3153
NU-DUL-1 CTRP1 7.0875 8.6056 6.3092 6.6388
OCI-Ly10 CTRP1 7.6824 13.6566 4.2642 20.4399
GDM-1 CTRP1 7.9354 11.9265 5.3113 12.1365
OCI-AML-3 CTRP1 8.0018 11.0898 5.7648 8.22
SU-DHL-5 CTRP1 8.1519 9.3373 6.6505 0.9546
U-937 CTRP1 8.1599 11.3839 5.7308 8.0236
SU-DHL-4 CTRP1 8.1872 10.0296 6.375 2.7711
RPMI-8226 CTRP1 8.3907 12.082 5.5517 8.7926
WSU-DLCL2 CTRP1 8.4341 9.5187 6.7017 0.4221
KMS-11 CTRP1 8.4551 12.7398 5.2808 10.7119
PL21 CTRP1 8.489 12.2561 5.5336 8.6544
SKM-1 CTRP1 8.5051 9.955 6.5656 0.9983
EJM CTRP1 8.5516 10.1903 6.4931 1.3502
NOMO-1 CTRP1 8.7006 10.1166 6.5874 0.6939
AMO1 CTRP1 8.7213 9.8657 6.6872 0.2997
THP-1 CTRP1 9.0994 11.2237 6.3318 1.5786
MOLM-16 CTRP1 9.1497 11.0565 6.4192 1.0667
LP-1 CTRP1 9.4425 22.2321 1.3556 27.219
⏷ Show the Full List of 19 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Kidney Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RCC10RGB CTRP1 8.8468 10.2879 6.5831 0.5942
Cancer Drug Sensitivity Data Curated from 27 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SW948 CTRP1 8.2001 10.3229 6.2513 3.6911
HCT 116 CTRP1 8.3476 11.6884 5.7099 7.6519
SNU-1040 CTRP1 8.3638 11.2836 5.9096 6.0029
HT-29 CTRP1 8.407 9.6597 6.6375 0.7316
HT115 CTRP1 8.4991 9.958 6.5617 1.0265
HT-55 CTRP1 8.6719 10.0535 6.5993 0.6653
KM12 CTRP1 8.6938 10.4244 6.465 1.3298
SNU-175 CTRP1 8.7336 10.5134 6.4477 1.378
LS123 CTRP1 8.7517 11.515 6.0333 4.1383
COLO 320 CTRP1 8.7734 11.7107 5.9587 4.6462
SNU-81 CTRP1 8.814 10.7656 6.3837 1.6463
SNU-C4 CTRP1 8.8162 9.9707 6.6855 0.2603
CL-34 CTRP1 8.8324 10.2522 6.5905 0.5749
HCT 8 CTRP1 8.8783 9.9825 6.7038 0.1897
SW620 CTRP1 8.9664 12.8792 5.543 7.3244
MDST8 CTRP1 9.0124 10.129 6.7012 0.1538
LoVo CTRP1 9.0318 15.0909 4.5442 14.1898
COLO 678 CTRP1 9.0364 11.0832 6.359 1.5036
SNU-61 CTRP1 9.1625 10.5815 6.5989 0.3485
NCI-H508 CTRP1 9.2447 10.5285 6.647 0.1957
LS180 CTRP1 9.2792 10.5713 6.6446 0.1903
RCM-1 [Human ESC] CTRP1 9.3802 10.8924 6.5701 0.3314
CL-40 CTRP1 9.3898 10.9923 6.5386 0.4179
RKO CTRP1 9.4347 11.0482 6.5355 0.4048
SNU-C5 CTRP1 9.6264 11.462 6.4607 0.5396
CW-2 CTRP1 9.7138 11.4192 6.5083 0.3567
SW480 CTRP1 10.6889 17.3309 4.5398 10.0974
⏷ Show the Full List of 27 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JHH-6 CTRP1 5.9877 6.9671 4.723 0.7467
SNU-449 CTRP1 7.8902 9.8708 4.4148 0.5449
Hep-G2 CTRP1 9.0688 10.2596 6.6766 0.1875
SNU-398 CTRP1 9.2268 14.0432 5.1656 9.4284
Cancer Drug Sensitivity Data Curated from 44 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H1930 CTRP1 5.7535 8.017 4.1111 6.051
NCI-H1435 CTRP1 6.4625 10.4589 3.42 9.6176
NCI-H1963 CTRP1 6.5956 10.191 5.0917 19.3197
LXF 289 CTRP1 6.91 9.4623 4.1413 3.061
NCI-H1915 CTRP1 7.1543 9.2542 4.3445 1.4439
COLO 668 CTRP1 7.1848 10.1902 3.9734 3.7214
NCI-H1836 CTRP1 7.6369 9.2355 6.4064 3.8742
RERF-LC-KJ CTRP1 7.6418 8.844 4.6772 0.0693
SCLC-21H CTRP1 7.7033 9.4168 6.364 4.0435
NCI-H2110 CTRP1 7.7553 12.6262 4.8322 16.3974
HCC1359 CTRP1 7.9399 8.8971 6.729 0.7737
NCI-H1755 CTRP1 8.1942 10.9202 5.9725 5.9443
Sq-1 CTRP1 8.2876 9.9685 6.4555 1.9983
NCI-H1876 CTRP1 8.3035 10.3787 6.2856 3.1982
HCC2108 CTRP1 8.3218 11.3843 5.8362 6.7051
NCI-H2081 CTRP1 8.3283 10.362 6.3067 2.9883
NCI-H2073 CTRP1 8.3388 10.7015 6.1613 4.0721
HCC2935 CTRP1 8.3508 11.2083 5.9365 5.8215
NCI-H841 CTRP1 8.4802 13.3138 5.0221 12.5667
T3M-10 CTRP1 8.5305 10.6043 6.3103 2.572
NCI-H1781 CTRP1 8.6098 9.9516 6.6119 0.6624
NCI-H2030 CTRP1 8.6296 11.0138 6.1861 3.2677
HCC4006 CTRP1 8.6486 11.523 5.9711 4.8288
COLO 699 CTRP1 8.6702 10.6078 6.3794 1.8786
HCC1195 CTRP1 8.6772 10.7417 6.3272 2.205
NCI-H596 CTRP1 8.6831 10.1734 6.5585 0.8455
HCC827 CTRP1 8.6903 13.9889 4.8411 13.2127
SK-LU-1 CTRP1 8.7635 12.6539 5.5222 7.996
NCI-H3255 CTRP1 8.7837 14.8446 4.4929 15.2571
COR-L23 CTRP1 8.8105 10.1212 6.6298 0.4405
NCI-H2141 CTRP1 8.8289 10.3419 6.5557 0.7252
NCI-H460 CTRP1 8.8446 10.0849 6.6558 0.3339
COR-L51 CTRP1 8.8688 10.7091 6.4314 1.3046
NCI-H1105 CTRP1 8.9709 10.9395 6.3863 1.4309
HCC15 CTRP1 8.9918 11.5803 6.1333 2.9729
NCI-H1694 CTRP1 9.1177 10.4797 6.6181 0.3141
CAL-12T CTRP1 9.2066 10.868 6.513 0.613
NCI-H2342 CTRP1 9.2723 11.2403 6.401 1.0372
NCI-H2172 CTRP1 9.2743 13.9311 5.2466 8.7329
NCI-H2122 CTRP1 9.3343 10.5747 6.6626 0.142
NCI-H2286 CTRP1 9.4138 20.8429 0.4342 18.7929
NCI-H441 CTRP1 9.546 11.2919 6.4909 0.4856
HCC1833 CTRP1 9.802 11.5574 6.4923 0.3624
NCI-H2023 CTRP1 11.0663 19.79 3.6422 14.1868
⏷ Show the Full List of 44 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 23 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JHOS-4 CTRP1 6.4148 9.7319 3.7326 7.2836
OVMANA CTRP1 6.4943 8.5783 4.3024 2.6944
COV318 CTRP1 6.6028 7.6477 4.7201 0.2593
OVKATE CTRP1 8.1606 10.8503 5.9838 5.9428
IGROV-1 CTRP1 8.4975 11.1629 6.0456 4.6031
EFO-27 CTRP1 8.5073 11.5576 5.8714 5.94
COV434 CTRP1 8.6571 10.9377 6.2337 2.8767
OAW42 CTRP1 8.662 9.6088 6.755 0.1474
OV-90 CTRP1 8.7226 12.5691 5.536 7.9978
RMG-I CTRP1 8.792 10.6914 6.4033 1.5599
OVCAR-8 CTRP1 8.9156 13.7524 5.1041 10.6954
OV7 CTRP1 9.1058 10.9081 6.4571 0.9284
OVK18 CTRP1 9.1532 13.5823 5.3333 8.4085
A2780 CTRP1 9.2314 11.5773 6.2513 1.8705
TYK-nu CTRP1 9.232 11.7389 6.1861 2.2568
OVCAR-4 CTRP1 9.265 15.9803 4.2758 15.1931
COV362 CTRP1 9.38 11.3 6.423 0.8467
COV644 CTRP1 9.4748 10.8816 6.6078 0.2077
JHOM-1 CTRP1 9.5049 15.2886 4.76 11.489
RMUG-S CTRP1 9.5146 18.0772 3.4377 19.0529
Caov-3 CTRP1 9.5665 10.9513 6.6161 0.1669
JHOC-5 CTRP1 9.7375 13.7165 5.6082 5.1869
SNU-840 CTRP1 11.3923 19.883 3.7971 12.7057
⏷ Show the Full List of 23 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Pancreas Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaTu 8902 CTRP1 6.5223 8.4487 4.3722 2.1611
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Prostate Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
PaCa-3 CTRP1 6.4975 10.7629 3.2984 10.4508
Cancer Drug Sensitivity Data Curated from 5 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hs 852.T CTRP1 6.6117 9.1324 4.1243 3.7562
SK-MEL-1 CTRP1 7.8082 9.3188 6.4755 2.847
SK-MEL-28 CTRP1 8.3616 9.2488 6.771 0.2246
A-375 CTRP1 8.9605 10.5064 6.548 0.6519
SK-MEL-5 CTRP1 9.0136 10.3553 6.6233 0.348
Cancer Drug Sensitivity Data Curated from 2 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
RKN CTRP1 7.8871 9.7655 6.3177 3.9283
HT-1080 CTRP1 8.7944 11.3777 6.1167 3.4467
Cancer Drug Sensitivity Data Curated from 3 Cell Line(s) in Stomach Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
MKN74 CTRP1 7.0483 9.2039 4.3164 1.7312
AGS CTRP1 8.7096 10.0398 6.6198 0.5481
SNG-M CTRP1 7.1356 9.018 4.4279 1.0384
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Upper Aerodigestive Tract Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SCC-9 CTRP1 9.3473 10.973 6.5294 0.469

References

1 ClinicalTrials.gov (NCT00706355) A Study of PF-04217903 in Patients With Advanced Cancer. U.S. National Institutes of Health.
2 Sensitivity of selected human tumor models to PF-04217903, a novel selective c-Met kinase inhibitor. Mol Cancer Ther. 2012 Apr;11(4):1036-47.
3 In vitro-in vivo correlation for intrinsic clearance for drugs metabolized by human aldehyde oxidase. Drug Metab Dispos. 2010 Aug;38(8):1322-7. doi: 10.1124/dmd.110.033555. Epub 2010 May 5.