Details of the Drug

General Information of Drug (ID: DM7P3IZ)

Drug Name
3-aminobenzamide
Synonyms
3-Aminobenzamide; 3544-24-9; m-Aminobenzamide; Benzamide, 3-amino-; 3-Amino-benzamide; Benzamide, m-amino-; meta-aminobenzamide; 3-ABA; 3-Aminobenzimide; 3-amino benzamide; aniline-3-carboxamide; 3-aminobenzoic acid amide; UNII-8J365YF1YH; CCRIS 3925; EINECS 222-586-9; NSC 36962; BRN 2802373; PARP Inhibitor I, 3-ABA; 3-H2NC6H4CONH2; CHEMBL81977; 3-AB; 8J365YF1YH; CHEBI:64042; GSCPDZHWVNUUFI-UHFFFAOYSA-N; MFCD00007989; 3-Aminobenzamide, 98%; SR-01000075657; HSDB 7581; 3-azanylbenzamide; m-amino benzamide; 4pml; 3-Aminobenzaminde
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 136.15
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H8N2O
IUPAC Name
3-aminobenzamide
Canonical SMILES
C1=CC(=CC(=C1)N)C(=O)N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
GSCPDZHWVNUUFI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1645
ChEBI ID
CHEBI:64042
CAS Number
3544-24-9
TTD ID
D0K2PD
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
Poly [ADP-ribose] polymerase 1 (PARP1) TTVDSZ0 PARP1_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Adiponectin (ADIPOQ) OTNX23LE ADIPO_HUMAN Gene/Protein Processing [2]
Catenin beta-1 (CTNNB1) OTZ932A3 CTNB1_HUMAN Gene/Protein Processing [3]
Chimeric ERCC6-PGBD3 protein (ERCC6) OT2QZKSF ERPG3_HUMAN Drug Response [4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [3]
DNA excision repair protein ERCC-1 (ERCC1) OTNPYQHI ERCC1_HUMAN Gene/Protein Processing [5]
DNA repair endonuclease XPF (ERCC4) OTFIOPG1 XPF_HUMAN Gene/Protein Processing [5]
DNA-binding protein inhibitor ID-2 (ID2) OT0U1D53 ID2_HUMAN Gene/Protein Processing [3]
Fibronectin (FN1) OTB5ZN4Q FINC_HUMAN Gene/Protein Processing [5]
G1/S-specific cyclin-D1 (CCND1) OT8HPTKJ CCND1_HUMAN Gene/Protein Processing [3]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [3]
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
Poly [ADP-ribose] polymerase 1 (PARP1) DTT PARP1 5.01E-05 1.02 2.68
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 Central Nervous System Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
LN-229 CTRP1 9.2008 15.2973 4.4583 13.1279
Cancer Drug Sensitivity Data Curated from 1 Cell Line(s) in Endometrium Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
JHUEM-2 CTRP1 9.0162 11.1245 6.2171 1.4833
Cancer Drug Sensitivity Data Curated from 13 Cell Line(s) in Haematopoietic And Lymphoid Tissue Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NU-DUL-1 CTRP1 0.4245 94.8517 -42.5597 51.7499
SKM-1 CTRP1 7.5343 9.2983 6.2082 4.4518
SU-DHL-5 CTRP1 7.8567 8.9426 6.5561 1.018
OCI-AML-3 CTRP1 7.9841 10.0425 6.1446 3.7789
THP-1 CTRP1 8.0384 15.1148 3.7247 21.1105
PL21 CTRP1 8.3411 9.7049 6.4739 0.8762
U-937 CTRP1 8.3623 9.72 6.4773 0.8365
MOLM-16 CTRP1 8.3635 10.8991 5.9794 4.1887
WSU-DLCL2 CTRP1 8.4435 9.4679 6.6033 0.2573
NOMO-1 CTRP1 8.4633 9.9216 6.4432 0.9041
GDM-1 CTRP1 8.7982 12.0412 5.7171 5.204
SU-DHL-4 CTRP1 8.9794 10.013 6.6065 0.0866
RPMI-8226 CTRP1 9.511 10.9326 6.4811 0.171
⏷ Show the Full List of 13 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 17 Cell Line(s) in Large Intestine Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
HT115 CTRP1 8.0138 10.4305 5.9841 4.9958
CL-40 CTRP1 8.3718 10.5498 6.1385 2.9841
HCT 116 CTRP1 8.5228 10.3392 6.3041 1.6152
CL-34 CTRP1 8.6462 15.0432 4.2038 16.3432
HCT 8 CTRP1 8.6944 9.7946 6.5811 0.2102
RCM-1 [Human ESC] CTRP1 8.7185 10.6325 6.2773 1.5109
LS123 CTRP1 8.7208 11.7091 5.8212 4.5997
MDST8 CTRP1 8.803 10.6138 6.3227 1.1618
LoVo CTRP1 8.8062 10.8733 6.2212 1.7235
RKO CTRP1 8.8435 10.6154 6.3396 1.0335
SNU-1040 CTRP1 8.8561 10.1252 6.5249 0.2916
COLO 678 CTRP1 8.8784 11.0458 6.1853 1.8388
SW620 CTRP1 8.9614 12.6747 5.5268 6.2485
HT-55 CTRP1 9.1321 10.5345 6.483 0.2874
NCI-H508 CTRP1 9.2233 14.0713 5.0461 9.1012
SW480 CTRP1 9.6126 11.9268 6.1649 1.1388
HT-29 CTRP1 11.6659 23.8646 2.014 19.1251
⏷ Show the Full List of 17 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 9 Cell Line(s) in Lung Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
NCI-H460 CTRP1 8.2681 9.6049 6.4808 0.9218
NCI-H1781 CTRP1 8.739 14.6494 4.4585 14.4445
NCI-H2122 CTRP1 8.9064 10.4241 6.4372 0.5531
SK-LU-1 CTRP1 8.9366 10.9149 6.264 1.3224
HCC15 CTRP1 8.9747 11.679 5.9703 3.0584
T3M-10 CTRP1 9.1173 10.7348 6.4065 0.5294
NCI-H441 CTRP1 9.347 13.8629 5.2154 7.6139
NCI-H596 CTRP1 9.559 11.0022 6.4743 0.1713
NCI-H1755 CTRP1 9.6012 11.3495 6.3702 0.3919
⏷ Show the Full List of 9 Cancer Drug Sensitivity Data of This Drug
Cancer Drug Sensitivity Data Curated from 7 Cell Line(s) in Ovary Tissue
Cell Line Original Dataset IC50 IC90 EC50 AUC
OV7 CTRP1 8.4646 10.0961 6.375 1.2732
OV-90 CTRP1 8.6415 10.3234 6.3649 1.1181
COV644 CTRP1 8.669 10.4568 6.3246 1.3045
TYK-nu CTRP1 8.8225 13.072 5.2611 8.5601
Caov-3 CTRP1 8.9063 11.5574 5.9869 3.0644
RMUG-S CTRP1 9.3993 15.791 4.3543 13.2509
SNU-840 CTRP1 9.8063 15.8091 4.6017 10.6642
⏷ Show the Full List of 7 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-28 CTRP1 7.5956 14.2424 3.8166 22.1917
SK-MEL-1 CTRP1 7.7508 11.9183 5.0867 13.1426
A-375 CTRP1 8.7631 10.2882 6.43 0.6881
SK-MEL-5 CTRP1 8.9092 10.0388 6.5737 0.1564
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 8.3467 10.7913 6.018 3.9317

References

1 Diabetic endothelial dysfunction: the role of poly(ADP-ribose) polymerase activation. Nat Med. 2001 Jan;7(1):108-13.
2 PARP-1 suppresses adiponectin expression through poly(ADP-ribosyl)ation of PPAR gamma in cardiac fibroblasts. Cardiovasc Res. 2009 Jan 1;81(1):98-107. doi: 10.1093/cvr/cvn264. Epub 2008 Sep 24.
3 Differentiative pathway activated by 3-aminobenzamide, an inhibitor of PARP, in human osteosarcoma MG-63 cells. FEBS Lett. 2005 Jan 31;579(3):615-20. doi: 10.1016/j.febslet.2004.12.028.
4 A high-fat diet and NAD(+) activate Sirt1 to rescue premature aging in cockayne syndrome. Cell Metab. 2014 Nov 4;20(5):840-855. doi: 10.1016/j.cmet.2014.10.005. Epub 2014 Nov 4.
5 Genotoxic stress and activation of novel DNA repair enzymes in human endothelial cells and in the retinas and kidneys of streptozotocin diabetic rats. Diabetes Metab Res Rev. 2012 May;28(4):329-37. doi: 10.1002/dmrr.2279.