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Compound Detail

CHEMBL238071

VINDESINE
🧪 Phase III
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🧪 Phase III
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238071
Name VINDESINE
Phase Phase III
Structure Type MOL
InChI Key HHJUWIANJFBDHT-ZVTSDNJWSA-N
Therapeutic ✓ Yes

Known Names

COMPOUND 112531 COMPOUND-112531 Vindesina Vindesine
8
Targets
32
Activities
1
Assay Types
3
PK Parameters
20
Publications
4
Known Names
16
Indications

Molecular Properties

753.9
MW (Da)
2.73
ALogP
10
HBA
5
HBD
164.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem vin-
USAN Year 1976

Extended Properties

Molecular Formula C43H55N5O7
MW 753.94
Aromatic Rings 3
Heavy Atoms 55
NP-Likeness 1.43

Indications

Neoplasms Leukemia Leukemia-Lymphoma, Adult T-Cell Lung Neoplasms Lung Neoplasms Lymphoma Lymphoma, Large B-Cell, Diffuse Neuroblastoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor T-Cell Lymphoblastic Leukemia-Lymphoma Uterine Cervical Neoplasms Lymphoma, Follicular Lymphoma, T-Cell, Peripheral Small Cell Lung Carcinoma Lymphoma, Non-Hodgkin

ATC Classification

L01CA03
vindesine
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 32 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 9.0 7.6689 1.0 9
LT12 tumor cell line
CHEMBL614098
 IC50 9.0 7.79 1.0 2
LNCaP
CHEMBL612518
 IC50 8.02 8.02 9.5 1
P388
CHEMBL389
 IC50 8.0 6.978 10.0 10
P388/ADR
CHEMBL614218
 IC50 8.0 6.98 10.0 2
L1210
CHEMBL386
 IC50 7.7 7.7 20.0 6
MDR
CHEMBL614125
 IC50 6.58 6.58 260.0 1
Unchecked
CHEMBL612545
 IC50 6.57 6.57 272.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 2.2 mL.min-1.kg-1 Homo sapiens
MRT 38.0 hr Homo sapiens
T1/2 35.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 1.0 nM 9.0 Antiproliferative activity against LT12 cells by XTT assay after 48 hrs 17181164
NON-PROTEIN TARGET IC50 = 1.0 nM 9.0 Antiproliferative activity against rat L12 cells after 48 hrs by XTT assay 17973361
NON-PROTEIN TARGET IC50 = 1.0 nM 9.0 Antiproliferative activity against rat LT12 cells after 48 hrs by XTT assay 20537765
NON-PROTEIN TARGET IC50 = 1.0 nM 9.0 Antiproliferative activity against rat LT12 cells after 48 hrs by XTT assay 21705223
LT12 tumor cell line IC50 = 1.0 nM 9.0 Antiproliferative activity against LT12 tumor cell line 12852768
LNCaP IC50 = 9.5 nM 8.02 Cytotoxicity against human LNCAP cells 20936874
P388/ADR IC50 = 10.0 nM 8.0 Antiproliferative activity against P388 tumor cell line 12852768
P388 IC50 = 10.0 nM 8.0 Antiproliferative activity against P388 cells by XTT assay after 48 hrs 17181164
P388 IC50 = 10.0 nM 8.0 Antiproliferative activity against mouse P388 cells after 48 hrs by XTT assay 17973361
P388 IC50 = 10.0 nM 8.0 Antiproliferative activity against mouse P388 cells after 48 hrs by XTT assay 19220018
P388 IC50 = 10.0 nM 8.0 Antiproliferative activity against mouse P388 cells after 48 hrs by XTT assay 20537765
P388 IC50 = 10.0 nM 8.0 Antiproliferative activity against mouse P388 cells after 48 hrs by XTT prolifer... 21705223
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against mouse L1210 cells after 48 hrs by XTT assay 20537765
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against mouse L1210 cells after 48 hrs by XTT assay 21705223
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against mouse L1210 cells after 48 hrs by XTT assay 19220018
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against L1210 cells by XTT assay after 48 hrs 17181164
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against L1210 tumor cell line 12852768
L1210 IC50 = 20.0 nM 7.7 Antiproliferative activity against mouse L1210 cells after 48 hrs by XTT assay 17973361
NON-PROTEIN TARGET IC50 = 200.0 nM 6.7 Antiproliferative activity against rat LT12 cells after 48 hrs by XTT assay 19220018
NON-PROTEIN TARGET IC50 = 260.0 nM 6.58 Antiproliferative activity against multi drug-resistant rat LT12 cells after 48 ... 20537765

Literature References

PubMed DOI Target Context # Activities
4020828 10.1021/jm00146a017 Mus musculus 70
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
18426954 10.1124/dmd.108.020479 ADMET 4
29624387 10.1021/acs.jmedchem.8b00035 Unchecked 4
17181164 10.1021/jm0605031 L1210 2
20537765 10.1016/j.ejmech.2010.04.032 NON-PROTEIN TARGET 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
19220018 10.1021/jm801338r P388 2
19220018 10.1021/jm801338r L1210 2
19220018 10.1021/jm801338r NON-PROTEIN TARGET 2
17973361 10.1021/jm0708984 L1210 2
17973361 10.1021/jm0708984 NON-PROTEIN TARGET 2
17973361 10.1021/jm0708984 P388 2
21705223 10.1016/j.bmc.2011.06.010 NON-PROTEIN TARGET 2
17181164 10.1021/jm0605031 P388 2
12852768 10.1021/jm0307685 LT12 tumor cell line 2
21705223 10.1016/j.bmc.2011.06.010 P388 2
20537765 10.1016/j.ejmech.2010.04.032 P388 2
12852768 10.1021/jm0307685 P388/ADR 2

Data from ChEMBL 36 via Core Engine