Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL20684

ABT-751
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20684
Name ABT-751
Phase Phase II
Structure Type MOL
InChI Key URCVCIZFVQDVPM-UHFFFAOYSA-N

Known Names

Abt-751 E 7010 E-7010 NSC-742134
36
Targets
70
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
9
Indications
1
Mechanisms

Molecular Properties

371.4
MW (Da)
3.34
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C18H17N3O4S
MW 371.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.22

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tubulin beta inhibitor INHIBITOR Tubulin beta ✓ ✓

Indications

Breast Neoplasms Carcinoma, Non-Small-Cell Lung Carcinoma, Renal Cell Colorectal Neoplasms Neuroblastoma Hematologic Neoplasms Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Prostatic Neoplasms, Castration-Resistant

Activity Summary

IC50 69 meas. best 6.84
Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-BR-3
CHEMBL613834
 IC50 6.84 6.485 143.0 2
Jurkat
CHEMBL397
 IC50 6.8 6.8 160.0 1
P338
CHEMBL614137
 IC50 6.8 6.8 160.0 1
MKN-45
CHEMBL614354
 IC50 6.78 6.775 166.0 2
A2780
CHEMBL614004
 IC50 6.77 6.77 170.0 1
P388
CHEMBL389
 IC50 6.72 5.77 190.0 2
SW-620
CHEMBL612262
 IC50 6.72 6.135 190.0 2
HL-60
CHEMBL383
 IC50 6.7 6.585 200.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.69 6.644 205.0 5
HT-29
CHEMBL384
 IC50 6.68 6.2983 210.0 6
KB
CHEMBL398
 IC50 6.6 6.6 250.0 2
HeLa
CHEMBL399
 IC50 6.57 6.2725 270.0 4
HCT-15
CHEMBL612263
 IC50 6.47 6.47 340.0 1
NCI-H460
CHEMBL396
 IC50 6.46 6.075 350.0 2
HepG2
CHEMBL395
 IC50 6.35 6.35 447.0 1
PC-3
CHEMBL390
 IC50 6.34 6.34 460.0 1
RKO
CHEMBL614879
 IC50 6.2 6.2 633.0 1
Unchecked
CHEMBL612545
 IC50 6.17 5.714 671.0 5
Tubulin
CHEMBL2095182
 IC50 6.16 5.7733 700.0 3
SGC-7901
CHEMBL614909
 IC50 6.13 6.13 738.0 1
PLC-PRF-5
CHEMBL1075561
 IC50 6.1 6.1 792.0 1
PANC-1
CHEMBL614139
 IC50 6.08 6.08 837.0 1
HCT-116
CHEMBL394
 IC50 6.05 6.035 900.0 2
MCF7
CHEMBL387
 IC50 5.9 5.66 1250.0 2
A549
CHEMBL392
 IC50 5.88 5.8525 1310.0 4
DU-145
CHEMBL613508
 IC50 5.88 5.81 1310.0 2
HEK293
CHEMBL614818
 IC50 5.88 5.88 1310.0 1
NSCLC
CHEMBL612554
 IC50 5.82 5.82 1500.0 1
Tubulin
CHEMBL2095182
 Ki 5.82 5.82 1510.0 1
ACHN
CHEMBL614519
 IC50 5.67 5.67 2130.0 1
Tubulin
CHEMBL2094134
 IC50 5.66 5.58 2200.0 2
Tubulin
CHEMBL2111354
 IC50 5.55 5.55 2790.0 1
Tubulin alpha chain
CHEMBL3658
 IC50 5.51 5.51 3100.0 1
SW480
CHEMBL612544
 IC50 5.47 5.47 3421.0 1
BT-474
CHEMBL614529
 IC50 5.08 5.08 8390.0 1
HUVEC
CHEMBL613979
 IC50 5.04 5.04 9200.0 1
Trypanosoma brucei
CHEMBL612849
 IC50 4.09 4.09 82100.0 1

Pharmacokinetic Data

Parameter Value Units Species
Tmax 2.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-BR-3 IC50 = 143.0 nM 6.84 Antiproliferative activity against human SK-BR-3 cells assessed as cell viabilit... 33360794
P338 IC50 = 160.0 nM 6.8 Cytotoxicity against mouse P338 cells assessed as inhibition of cell growth afte... 27397495
Jurkat IC50 = 160.0 nM 6.8 Cell cycle arrest in human Jurkat cells assessed as accumulation at G2/M phase a... 21126027
MKN-45 IC50 = 166.0 nM 6.78 Cytotoxicity against human MKN45 cells assessed as growth inhibition after 72 hr... 24106982
A2780 IC50 = 170.0 nM 6.77 Cytotoxicity against human A2780 cells after 48 to 72 hrs by WAT-1 assay 21126027
MKN-45 IC50 = 170.0 nM 6.77 Growth inhibition of human MKN45 cells after 48 hrs by SRB assay 30476825
P388 IC50 = 190.0 nM 6.72 Effective concentration to inhibit cell proliferation by 50% relative to untreat... 12383017
SW-620 IC50 = 190.0 nM 6.72 Cytotoxicity against human SW620 cells after 48 to 72 hrs by WAT-1 assay 21126027
HL-60 IC50 = 200.0 nM 6.7 Cytotoxicity against human HL60 cells assessed as inhibition of cell growth afte... 27397495
NON-PROTEIN TARGET IC50 = 206.0 nM 6.69 Cytotoxicity against human KB-S15 cells overexpressing P-gp170/MDR assessed as g... 24106982
NON-PROTEIN TARGET IC50 = 205.0 nM 6.69 Cytotoxicity against human KB-7d cells overexpressing MRP assessed as growth inh... 24106982
HT-29 IC50 = 210.0 nM 6.68 Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay 23202849
HT-29 IC50 = 210.0 nM 6.68 Antiproliferative activity against human HT-29 cells assessed as cell growth inh... 27538123
NON-PROTEIN TARGET IC50 = 217.7 nM 6.66 Cytotoxicity against human H460 cells assessed as growth inhibition after 72 hrs... 24106982
NON-PROTEIN TARGET IC50 = 227.0 nM 6.64 Cytotoxicity against human KB-VIN10 cells overexpressing P-gp170/MDR assessed as... 24106982
KB IC50 = 251.3 nM 6.6 Cytotoxicity against human KB cells assessed as growth inhibition after 72 hrs b... 24106982
KB IC50 = 250.0 nM 6.6 Growth inhibition of human KB cells after 48 hrs by SRB assay 30476825
HeLa IC50 = 270.0 nM 6.57 Cytotoxicity against human HeLa cells after 48 to 72 hrs by WAT-1 assay 21126027
NON-PROTEIN TARGET IC50 = 290.0 nM 6.54 Cytotoxicity against human NCI-ADR-RES expressing MDR1 cells after 48 to 72 hrs ... 21126027
HL-60 IC50 = 340.0 nM 6.47 Antiproliferative activity against human HL60 cells 17276056

Literature References

PubMed DOI Target Context # Activities
33360794 10.1016/j.ejmech.2020.113117 SW-620 13
25468039 10.1016/j.bmc.2014.11.001 DU-145 13
33360794 10.1016/j.ejmech.2020.113117 RKO 12
28400235 10.1016/j.bmcl.2017.03.089 DU-145 11
24835786 10.1016/j.bmc.2014.04.038 MCF7 10
1619621 10.1021/jm00091a018 MC-38 5
24106982 10.1021/jm4011115 NON-PROTEIN TARGET 4
33360794 10.1016/j.ejmech.2020.113117 PANC-1 4
1619621 10.1021/jm00091a018 Mus musculus 4
30476825 10.1016/j.ejmech.2018.10.066 Tubulin 3
24106982 10.1021/jm4011115 Tubulin 3
17276056 10.1016/j.bmcl.2006.12.048 Tubulin 3
28400235 10.1016/j.bmcl.2017.03.089 Unchecked 3
27172319 10.1021/acs.jmedchem.6b00071 Tubulin 3
32171161 10.1016/j.ejmech.2020.112158 Unchecked 3
25468039 10.1016/j.bmc.2014.11.001 Tubulin 3
12383017 10.1021/jm0201060 HCT-116 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
10866386 10.1016/s0960-894x(00)00219-5 P388 2

Data from ChEMBL 36 via Core Engine