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Compound Detail

CHEMBL338604

C-1311
🧪 Phase II
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🧪 Phase II
CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338604
Name C-1311
Phase Phase II
Structure Type MOL
InChI Key CUNDRHORZHFPLY-UHFFFAOYSA-N

Known Names

C 1311 C-1311 NSC-645809 Symadex Xls-002
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Mechanisms

Molecular Properties

350.4
MW (Da)
2.90
ALogP
6
HBA
2
HBD
69.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H22N4O2
MW 350.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.65

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR Receptor-type tyrosine-protein kinase FLT3 ✓ ✓
DNA topoisomerase II inhibitor INHIBITOR DNA topoisomerase II ✓ ✓

Activity Summary

IC50 7 meas. best 8.94
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCT-116
CHEMBL394
 IC50 8.94 7.9467 1.1 3
L1210
CHEMBL386
 IC50 7.51 7.51 31.0 1
Ribosyldihydronicotinamide dehydrogenase [quinone]
CHEMBL3959
 IC50 6.9 6.865 126.0 2
SW480
CHEMBL612544
 IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HCT-116 IC50 = 1.14 nM 8.94 Cytotoxicity against human HCT116 cells after 96 hrs by MTT assay 21859103
HCT-116 IC50 = 4.16 nM 8.38 Cytotoxicity against human HCT116 cells after 24 hrs by MTT assay 21859103
L1210 IC50 = 31.0 nM 7.51 In vitro inhibitory activity against murine L1210 leukemia 1732555
Ribosyldihydronicotinamide dehydrogenase [quinone] IC50 = 126.0 nM 6.9 Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectroph... 21859103
Ribosyldihydronicotinamide dehydrogenase [quinone] IC50 = 148.0 nM 6.83 Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectroph... 20356739
HCT-116 IC50 = 300.0 nM 6.52 Antiproliferative activity against human HCT-116 cells assessed as reduction in ... 33191085
SW480 IC50 = 480.0 nM 6.32 Antiproliferative activity against human SW480 cells assessed as reduction in ce... 33191085

Literature References

PubMed DOI Target Context # Activities
22659092 10.1124/dmd.112.045401 ADMET 11
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A10 10
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A9 7
22659092 10.1124/dmd.112.045401 Liver microsome 5
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A1 5
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A7 4
1732555 10.1021/jm00080a026 Mus musculus 3
21859103 10.1021/jm200416e HCT-116 2
1732555 10.1021/jm00080a026 L1210 2
- 10.1007/s00044-011-9816-9 P388 1
22003274 10.1007/s00044-010-9487-y DNA 1
22003274 10.1007/s00044-010-9487-y P388 1
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A3 1
21859103 10.1021/jm200416e Ribosyldihydronicotinamide dehydrogenase [quinone] 1
22659092 10.1124/dmd.112.045401 UDP-glucuronosyltransferase 1A8 1
20356739 10.1016/j.bmcl.2010.03.051 Nucleic Acid 1
20356739 10.1016/j.bmcl.2010.03.051 HCT-116 1
20356739 10.1016/j.bmcl.2010.03.051 Ribosyldihydronicotinamide dehydrogenase [quinone] 1
33191085 10.1016/j.bmc.2020.115868 HCT-116 1
33191085 10.1016/j.bmc.2020.115868 SW480 1

Data from ChEMBL 36 via Core Engine