Details of the Drug

General Information of Drug (ID: DMY8RT9)

Drug Name
NCGC00167772-01
Synonyms 10-DEBC
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 344.9
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H25ClN2O
IUPAC Name
4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine
Canonical SMILES
CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
InChIKey
GYBXAGDWMCJZJK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10521421
ChEBI ID
CHEBI:94104
TTD ID
D0Q1HF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase pim-1 (PIM1) TTTN5QW PIM1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serine/threonine-protein kinase pim-1 (PIM1) DTT PIM1 4.83E-01 0.06 0.2
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 4.7698 5.9831 4.707 22.6343
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LN-229 CTRP1 5.5243 6.4584 5.4106 12.2609
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JHUEM-2 CTRP1 5.5295 6.318 5.4582 11.8547
Cancer Drug Sensitivity Data Curated from 14 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
OCI-AML-3 CTRP1 3.792 5.4127 3.7457 36.4529
THP-1 CTRP1 4.5735 5.7638 4.5321 25.2786
PL21 CTRP1 4.6149 5.7222 4.5819 24.6255
WSU-DLCL2 CTRP1 4.7823 5.3422 4.7811 22.003
SU-DHL-5 CTRP1 4.9465 5.4773 4.9448 19.6612
NOMO-1 CTRP1 5.0861 6.0887 5.0291 18.0746
SKM-1 CTRP1 5.1761 6.5573 5.0001 17.7125
GDM-1 CTRP1 5.2401 6.5947 5.057 16.859
RPMI-8226 CTRP1 5.4074 6.8136 5.1569 15.0272
U-937 CTRP1 5.5737 7.0766 5.223 13.5111
EJM CTRP1 5.6561 6.3489 5.5877 10.0269
NU-DUL-1 CTRP1 5.7636 7.1369 5.3898 11.0398
MOLM-16 CTRP1 5.8777 7.2888 5.4321 10.0694
SU-DHL-4 CTRP1 5.8846 6.4524 5.8036 6.8709
⏷ Show the Full List of 14 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 26 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SNU-175 CTRP1 4.2854 6.0171 4.1746 29.8914
SNU-C5 CTRP1 4.6742 5.6613 4.6518 23.7011
SNU-81 CTRP1 4.8814 6.6584 4.6466 22.3649
KM12 CTRP1 5.0372 6.5059 4.8657 19.6548
HT115 CTRP1 5.0983 5.7898 5.0856 17.5719
NCI-H508 CTRP1 5.2442 6.1584 5.1861 15.8259
COLO 678 CTRP1 5.2659 6.1261 5.2164 15.4513
CL-40 CTRP1 5.3641 6.3133 5.279 14.3214
CW-2 CTRP1 5.3741 6.7205 5.1567 15.2293
SW948 CTRP1 5.3765 6.2646 5.3052 14.0375
RCM-1 [Human ESC] CTRP1 5.4242 6.2346 5.3646 13.2682
CL-34 CTRP1 5.4338 6.4888 5.3025 13.689
SNU-61 CTRP1 5.5577 6.8774 5.2905 13.0361
HT-29 CTRP1 5.5708 6.2771 5.514 11.1538
HT-55 CTRP1 5.6004 6.3302 5.5322 10.8194
SNU-C4 CTRP1 5.6083 6.1534 5.5818 10.3889
RKO CTRP1 5.6387 8.8567 4.4482 19.6683
MDST8 CTRP1 5.6419 6.1174 5.624 9.8451
HCT 116 CTRP1 5.694 6.2853 5.6463 9.3256
LoVo CTRP1 5.8376 7.2754 5.3992 10.5655
COLO 320 CTRP1 5.9643 8.9363 4.7059 15.9754
HCT 8 CTRP1 6.1012 6.7664 5.8968 4.8553
SNU-1040 CTRP1 6.1292 6.8248 5.8961 4.7185
SW480 CTRP1 6.2766 8.3521 5.2688 9.6733
LS123 CTRP1 6.3719 7.6552 5.6965 5.4341
SW620 CTRP1 6.7419 8.6547 5.4843 5.9768
⏷ Show the Full List of 26 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Liver Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
Hep-G2 CTRP1 5.2892 6.5302 5.1318 15.9553
Cancer Drug Sensitivity Data Curated from 33 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H2342 CTRP1 4.6075 5.6691 4.5805 24.6874
NCI-H1836 CTRP1 4.684 5.9957 4.6117 23.9297
NCI-H2081 CTRP1 4.9055 6.2977 4.7827 21.1534
HCC2935 CTRP1 4.9812 5.9483 4.9412 19.4454
NCI-H596 CTRP1 5.0005 5.8799 4.9721 19.0843
COLO 699 CTRP1 5.0772 5.9204 5.0484 17.9916
NCI-H441 CTRP1 5.0869 6.0467 5.0381 18.0015
CAL-12T CTRP1 5.1723 6.099 5.1204 16.805
NCI-H841 CTRP1 5.2672 6.1758 5.2072 15.5114
HCC4006 CTRP1 5.3437 6.4186 5.2265 14.8615
NCI-H1105 CTRP1 5.4369 6.3365 5.352 13.2811
SK-LU-1 CTRP1 5.4631 6.4488 5.3472 13.1501
T3M-10 CTRP1 5.4865 7.9521 4.7371 18.0994
HCC1833 CTRP1 5.5109 6.7491 5.2922 13.299
NCI-H2122 CTRP1 5.5332 6.3376 5.4568 11.8419
NCI-H1876 CTRP1 5.5882 6.8587 5.3302 12.5282
NCI-H2073 CTRP1 5.6073 6.611 5.4476 11.4494
NCI-H2172 CTRP1 5.6149 6.1943 5.581 10.3506
NCI-H1694 CTRP1 5.6182 6.4613 5.5118 10.866
HCC2108 CTRP1 5.6562 6.4233 5.5654 10.2016
NCI-H2030 CTRP1 5.6718 6.3666 5.5998 9.8312
NCI-H1755 CTRP1 5.6764 6.4929 5.5643 10.0824
Sq-1 CTRP1 5.6848 6.2172 5.6522 9.3424
HCC15 CTRP1 5.7108 6.5854 5.5682 9.84
HCC1195 CTRP1 5.7253 6.2512 5.6887 8.7944
HCC1359 CTRP1 5.7281 6.1838 5.7057 8.6479
HCC827 CTRP1 5.7395 6.3238 5.6858 8.7234
NCI-H2023 CTRP1 5.7796 6.4229 5.6997 8.3569
COR-L23 CTRP1 5.8837 6.3625 5.832 6.6513
NCI-H3255 CTRP1 5.9235 6.701 5.7465 7.1123
NCI-H460 CTRP1 6.0967 7.8049 5.3853 9.4214
NCI-H1781 CTRP1 6.1835 7.2861 5.7201 6.0256
NCI-H2110 CTRP1 7.7303 13.2384 3.9555 14.9285
⏷ Show the Full List of 33 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 15 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
COV434 CTRP1 3.8417 5.0617 3.8291 35.5195
OVK18 CTRP1 4.2965 5.6577 4.2511 29.2623
RMUG-S CTRP1 4.6782 6.1294 4.5768 24.2313
RMG-I CTRP1 5.4746 7.1473 5.0901 15.1904
COV644 CTRP1 5.5458 6.3566 5.4652 11.6941
OV-90 CTRP1 5.5997 6.7905 5.3701 12.1293
SNU-840 CTRP1 5.6526 12.0477 2.8837 29.4023
JHOC-5 CTRP1 5.6532 6.0824 5.6409 9.6428
Caov-3 CTRP1 5.6559 6.2229 5.6196 9.7833
TYK-nu CTRP1 5.6829 6.5533 5.5501 10.1568
COV362 CTRP1 5.7228 6.4353 5.634 9.2368
OV7 CTRP1 5.7337 6.7236 5.5386 9.9461
JHOM-1 CTRP1 5.7594 6.2144 5.7336 8.2261
OAW42 CTRP1 5.8134 6.3059 5.7713 7.5792
EFO-27 CTRP1 6.7198 8.5138 5.5373 5.5842
⏷ Show the Full List of 15 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 4 Cell Line(s) in Skin Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
SK-MEL-5 CTRP1 5.1897 6.0652 5.1457 16.4977
A-375 CTRP1 5.2222 6.1324 5.1677 16.1123
SK-MEL-1 CTRP1 5.4669 6.2679 5.403 12.6908
SK-MEL-28 CTRP1 5.8486 6.3281 5.8037 7.0992
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Soft Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT-1080 CTRP1 5.8969 6.7217 5.7101 7.5702

References

1 Identification of N10-substituted phenoxazines as potent and specific inhibitors of Akt signaling. J Biol Chem. 2005 Sep 9;280(36):31924-35.
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2158).