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

CHEMBL268368

STAUROSPORINE AGLYCON
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
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268368
Name STAUROSPORINE AGLYCON
Phase Preclinical
Structure Type MOL
InChI Key KAJXOWFGKYKMMZ-UHFFFAOYSA-N
16
Targets
34
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
3.84
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H11N3O2
MW 325.33
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness 0.26

Activity Summary

IC50 34 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CaM kinase II
CHEMBL2097164
 IC50 7.6 7.6 25.0 1
CDK2/Cyclin A2
CHEMBL3038469
 IC50 6.87 6.87 135.0 1
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
 IC50 6.85 6.8067 140.0 6
Human betaherpesvirus 5
CHEMBL371
 IC50 6.7 6.7 200.0 1
Protein kinase C (PKC)
CHEMBL2093867
 IC50 6.51 5.7067 310.0 3
Cyclin-dependent kinase 2/cyclin E
CHEMBL2094126
 IC50 6.28 6.1075 530.0 4
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 6.27 6.27 534.0 1
NCI-H460
CHEMBL396
 IC50 6.23 6.23 590.0 4
HCT-116
CHEMBL394
 IC50 6.07 6.07 850.0 4
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 6.03 6.03 936.0 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 6.02 6.02 964.0 1
Cyclin-dependent kinase 1/cyclin B
CHEMBL2094127
 IC50 5.96 5.955 1100.0 2
P388
CHEMBL389
 IC50 5.4 5.4 4000.0 1
Unchecked
CHEMBL612545
 IC50 4.4 4.31 40000.0 2
Protein kinase C alpha type
CHEMBL299
 IC50 4.35 4.35 44700.0 1
cAMP-dependent protein kinase (PKA)
CHEMBL2094138
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CaM kinase II IC50 = 25.0 nM 7.6 Inhibition of Calcium/calmodulin-dependent protein kinase type II 14552791
CDK2/Cyclin A2 IC50 = 135.0 nM 6.87 Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichi... 30234987
Cyclin-dependent kinase 4/cyclin D1 IC50 = 140.0 nM 6.85 Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring pho... 14552792
Cyclin-dependent kinase 4/cyclin D1 IC50 = 140.0 nM 6.85 Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... 12824014
Cyclin-dependent kinase 4/cyclin D1 IC50 = 140.0 nM 6.85 Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the... 14552791
Cyclin-dependent kinase 4/cyclin D1 IC50 = 160.0 nM 6.8 Inhibitory activity against Cyclin-dependent kinase 4-cyclin D1 using Rb21 as su... 12747775
Cyclin-dependent kinase 4/cyclin D1 IC50 = 163.0 nM 6.79 Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... 12824014
Human betaherpesvirus 5 IC50 = 200.0 nM 6.7 Inhibitory activity against human cytomegalo virus (HCMV) using standard plaque ... 11454465
Cyclin-dependent kinase 4/cyclin D1 IC50 = 199.0 nM 6.7 Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculoviru... 30234987
Protein kinase C (PKC) IC50 = 310.0 nM 6.51 Inhibitory activity was determined against protein kinase C (PKC) from porcine b... 8151612
Cyclin-dependent kinase 2/cyclin E IC50 = 530.0 nM 6.28 Inhibitory activity against Cyclin-dependent kinase 2-cyclin E using Rb21 as sub... 12747775
Cyclin-dependent kinase 2/cyclin E1 IC50 = 534.0 nM 6.27 Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus... 30234987
Protein kinase C (PKC) IC50 = 550.0 nM 6.26 Inhibition of protein kinase C (PKC) isozyme -
NCI-H460 IC50 = 590.0 nM 6.23 In vitro antiproliferative activity against NCI-460 (human lung) cell line. 14552792
NCI-H460 IC50 = 590.0 nM 6.23 In vitro antiproliferative activity against human carcinoma cell line H460 (lung... 12824014
NCI-H460 IC50 = 590.0 nM 6.23 Inhibition of human NCI-H460 (lung) carcinoma cell proliferation 14552791
NCI-H460 IC50 = 590.0 nM 6.23 Inhibition of cell growth of NCI-H460 tumor cell lines 12747775
HCT-116 IC50 = 850.0 nM 6.07 In vitro antiproliferative activity against HCT116 ( human colon) cell line. 14552792
HCT-116 IC50 = 850.0 nM 6.07 Inhibition of cell growth of HCT116 tumor cell lines 12747775
HCT-116 IC50 = 850.0 nM 6.07 Inhibition of human HCT(colon) carcinoma cell proliferation 14552791

Literature References

PubMed DOI Target Context # Activities
14552792 10.1016/s0960-894x(03)00792-3 NCI-H460 2
30234987 10.1021/acs.jmedchem.8b00049 HCT-116 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
33100009 10.1021/acs.jmedchem.0c01271 Protein kinase C theta type 2
12824014 10.1016/s0960-894x(03)00461-x Cyclin-dependent kinase 4/cyclin D1 2
14552792 10.1016/s0960-894x(03)00792-3 HCT-116 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
14552792 10.1016/s0960-894x(03)00792-3 Cyclin-dependent kinase 4/cyclin D1 1
14552792 10.1016/s0960-894x(03)00792-3 cAMP-dependent protein kinase (PKA) 1
11454465 10.1016/s0960-894x(01)00352-3 Protein kinase C (PKC) 1
1874734 10.1016/s0021-9258(18)98476-0 Unchecked 1
- 10.1016/0960-894X(94)80024-3 Protein kinase C (PKC) 1
11454465 10.1016/s0960-894x(01)00352-3 Vero 1
12824014 10.1016/s0960-894x(03)00461-x Cyclin-dependent kinase 2/cyclin E 1
12824014 10.1016/s0960-894x(03)00461-x cAMP-dependent protein kinase (PKA) 1
12824014 10.1016/s0960-894x(03)00461-x HCT-116 1
11454465 10.1016/s0960-894x(01)00352-3 Human betaherpesvirus 5 1
14552791 10.1016/s0960-894x(03)00791-1 Cyclin-dependent kinase 4/cyclin D1 1
14552791 10.1016/s0960-894x(03)00791-1 HCT-116 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1

Data from ChEMBL 36 via Core Engine