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Compound Detail

CHEMBL265841

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CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)N2CCCC[C@H]2C(=O)NCC(=O)N(C)CC(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265841
Phase Preclinical
Structure Type MOL
InChI Key IJIBZYSFLHOQHP-HOYKXPLASA-N
10
Targets
15
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

1189.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C60H76N12O14
MW 1189.34

Activity Summary

IC50 15 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 IC50 11.0 11.0 0.0 1
786-0
CHEMBL613102
 IC50 11.0 11.0 0.0 1
BT-549
CHEMBL614072
 IC50 11.0 11.0 0.0 1
MCF7
CHEMBL387
 IC50 10.4 10.4 0.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 10.4 10.4 0.0 1
B16
CHEMBL381
 IC50 10.22 10.22 0.1 1
L1210
CHEMBL386
 IC50 9.7 9.7 0.2 1
OVCAR-3
CHEMBL614213
 IC50 9.0 9.0 1.0 1
MOLT-4
CHEMBL614177
 IC50 8.52 8.52 3.0 1
H322
CHEMBL614573
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BT-549 IC50 = 0.01 nM 11.0 The compound was tested in vitro for cytotoxic activity against BT-549 cell line... -
786-0 IC50 = 0.01 nM 11.0 The compound was tested in vitro for cytotoxic activity against 786-O cell line ... -
HT-29 IC50 = 0.01 nM 11.0 The compound was tested in vitro for cytotoxic activity against HT-29 cell line ... -
NON-PROTEIN TARGET IC50 = 0.04 nM 10.4 The compound was tested in vitro for cytotoxic activity against M24-MET cell lin... -
MCF7 IC50 = 0.04 nM 10.4 The compound was tested in vitro for cytotoxic activity against MCF-7 cell line ... -
B16 IC50 = 0.06 nM 10.22 The compound was tested in vitro for cytotoxic activity against B-16 cell line (... -
L1210 IC50 = 0.2 nM 9.7 The compound was tested in vitro for cytotoxic activity against L1210 cell line ... -
OVCAR-3 IC50 = 1.0 nM 9.0 The compound was tested in vitro for cytotoxic activity against OVCAR-3 cell lin... -
MOLT-4 IC50 = 3.0 nM 8.52 The compound was tested in vitro for cytotoxic activity against Molt-4 cell line... -
H322 IC50 = 10.0 nM 8.0 The compound was tested in vitro for cytotoxic activity against H 322 cell line ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00129-7 NON-PROTEIN TARGET 2
- 10.1016/S0960-894X(97)00129-7 L1210 1
- 10.1016/S0960-894X(97)00129-7 MOLT-4 1
- 10.1016/S0960-894X(97)00129-7 HL-60 1
- 10.1016/S0960-894X(97)00129-7 B16 1
- 10.1016/S0960-894X(97)00129-7 SK-MEL-28 1
- 10.1016/S0960-894X(97)00129-7 BT-549 1
- 10.1016/S0960-894X(97)00129-7 MCF7 1
- 10.1016/S0960-894X(97)00129-7 OVCAR-3 1
- 10.1016/S0960-894X(97)00129-7 PC-3 1
- 10.1016/S0960-894X(97)00129-7 SiHa 1
- 10.1016/S0960-894X(97)00129-7 786-0 1
- 10.1016/S0960-894X(97)00129-7 H322 1
- 10.1016/S0960-894X(97)00129-7 HT-29 1

Data from ChEMBL 36 via Core Engine