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Compound Detail

CHEMBL3655762

CYC-065
🧪 Phase II
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🧪 Phase II
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3655762
Name CYC-065
Phase Phase II
Structure Type MOL
InChI Key DLPIYBKBHMZCJI-WBVHZDCISA-N

Known Names

Cyc-065 Cyc065 Fadraciclib
12
Targets
22
Activities
2
Assay Types
0
PK Parameters
19
Publications
3
Known Names
3
Indications

Molecular Properties

397.5
MW (Da)
3.60
ALogP
8
HBA
3
HBD
100.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C21H31N7O
MW 397.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Indications

Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma Neoplasms

Activity Summary

IC50 21 meas. best 8.35
Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 Ki 8.64 8.64 2.3 1
Cyclin-dependent kinase 2
CHEMBL301
 IC50 8.35 7.85 4.5 4
Cyclin-dependent kinase 9
CHEMBL3116
 IC50 8.35 7.6433 4.5 3
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 8.3 8.3 5.0 1
CDK2/Cyclin A2
CHEMBL3038469
 IC50 8.3 8.3 5.0 1
Unchecked
CHEMBL612545
 IC50 8.3 7.13 5.0 2
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 7.68 7.68 21.0 1
Cyclin-dependent kinase 5
CHEMBL4036
 IC50 7.68 7.66 21.0 2
CDK9/cyclin T1
CHEMBL2111389
 IC50 7.58 7.58 26.0 3
Cyclin-dependent kinase 7/ cyclin H
CHEMBL2111288
 IC50 6.71 6.71 193.0 1
Cyclin-dependent kinase 7
CHEMBL3055
 IC50 6.71 6.71 193.0 1
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
CHEMBL3885554
 IC50 6.63 6.63 232.0 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 6.24 6.24 578.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2/cyclin E1 Ki = 2.3 nM 8.64 Binding affinity to CDK2/Cyclin E1 (unknown origin) using Ulight-MBP as substrat... 37736184
Cyclin-dependent kinase 9 IC50 = 4.5 nM 8.35 Inhibition of CDK9 (unknown origin) 38569434
Cyclin-dependent kinase 2 IC50 = 4.5 nM 8.35 Inhibition of CDK2 (unknown origin) 38569434
Cyclin-dependent kinase 2/cyclin E1 IC50 = 5.0 nM 8.3 Competitive reversible inhibition of CDK2/cyclin E (unknown origin) 31477350
Unchecked IC50 = 5.0 nM 8.3 Inhibition of recombinant CDK2/Cyclin A (unknown origin) in presence of ATP 38885173
Cyclin-dependent kinase 2 IC50 = 5.0 nM 8.3 Inhibition of CDK2 (unknown origin) 35814933
CDK2/Cyclin A2 IC50 = 5.0 nM 8.3 Inhibition of CDK2/cyclin A (unknown origin) 27171036
Cyclin-dependent kinase 2 IC50 = 20.0 nM 7.7 Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... -
Cyclin-dependent kinase 5 IC50 = 21.0 nM 7.68 Inhibition of CDK5 (unknown origin) 35814933
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 21.0 nM 7.68 Inhibition of CDK5/p25 (unknown origin) 27171036
Cyclin-dependent kinase 5 IC50 = 23.0 nM 7.64 Competitive reversible inhibition of CDK5 (unknown origin) 31477350
CDK9/cyclin T1 IC50 = 26.0 nM 7.58 Inhibition of CDK9/cyclin T (unknown origin) 27171036
CDK9/cyclin T1 IC50 = 26.0 nM 7.58 Competitive reversible inhibition of CDK9/CyclinT (unknown origin) 31477350
Cyclin-dependent kinase 9 IC50 = 26.0 nM 7.58 Inhibition of CDK9 (unknown origin) 35814933
CDK9/cyclin T1 IC50 = 26.0 nM 7.58 Inhibition of recombinant CDK9/Cyclin T1 (unknown origin) in presence of ATP 38885173
Cyclin-dependent kinase 2 IC50 = 90.0 nM 7.05 Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... -
Cyclin-dependent kinase 9 IC50 = 100.0 nM 7.0 Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... -
Cyclin-dependent kinase 7/ cyclin H IC50 = 193.0 nM 6.71 Inhibition of CDK7/cyclin H (unknown origin) 27171036
Cyclin-dependent kinase 7 IC50 = 193.0 nM 6.71 Inhibition of CDK7 (unknown origin) 35814933
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1 IC50 = 232.0 nM 6.63 Inhibition of CDK4/cyclin E (unknown origin) 27171036

Literature References

PubMed DOI Target Context # Activities
37736184 10.1021/acsmedchemlett.3c00142 Unchecked 4
35814933 10.1039/d2md00040g Cyclin-dependent kinase 9 1
38569434 10.1016/j.ejmech.2024.116333 Cyclin-dependent kinase 9 1
38569434 10.1016/j.ejmech.2024.116333 Cyclin-dependent kinase 2 1
38885173 10.1021/acs.jmedchem.4c00233 CDK9/cyclin T1 1
38885173 10.1021/acs.jmedchem.4c00233 Unchecked 1
37736184 10.1021/acsmedchemlett.3c00142 Cyclin-dependent kinase 2/cyclin E1 1
35814933 10.1039/d2md00040g Cyclin-dependent kinase 7 1
35814933 10.1039/d2md00040g Cyclin-dependent kinase 5 1
35814933 10.1039/d2md00040g Cyclin-dependent kinase 2 1
27171036 10.1021/acs.jmedchem.6b00150 Cyclin-dependent kinase 7/ cyclin H 1
31477350 10.1016/j.bmcl.2019.126637 Cyclin-dependent kinase 5 1
31477350 10.1016/j.bmcl.2019.126637 Cyclin-dependent kinase 2/cyclin E1 1
31477350 10.1016/j.bmcl.2019.126637 CDK9/cyclin T1 1
27171036 10.1021/acs.jmedchem.6b00150 Cyclin-dependent kinase 1/cyclin B1 1
27171036 10.1021/acs.jmedchem.6b00150 CDK2/Cyclin A2 1
27171036 10.1021/acs.jmedchem.6b00150 Cyclin-dependent kinase 4/G1/S-specific cyclin-E1 1
27171036 10.1021/acs.jmedchem.6b00150 CDK9/cyclin T1 1
27171036 10.1021/acs.jmedchem.6b00150 Cyclin-dependent kinase 5/CDK5 activator 1 1

Data from ChEMBL 36 via Core Engine