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Compound Detail

CHEMBL3894860

TRILACICLIB
💊 Approved Drug
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💊 Approved Drug
CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3894860
Name TRILACICLIB
Phase Approved
Structure Type MOL
InChI Key PDGKHKMBHVFCMG-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

G1T28 G1t28-1 Trilaciclib
6
Targets
25
Activities
1
Assay Types
0
PK Parameters
18
Publications
3
Known Names
10
Indications
4
Mechanisms

Molecular Properties

446.6
MW (Da)
2.72
ALogP
8
HBA
2
HBD
91.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

First in Class
USAN Stem -ciclib
USAN Year 2016

Extended Properties

Molecular Formula C24H30N8O
MW 446.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclin-dependent kinase 4 inhibitor INHIBITOR Cyclin-dependent kinase 4 ✓ ✓
Cyclin-dependent kinase 6 inhibitor INHIBITOR Cyclin-dependent kinase 6 ✓ ✓
Cyclin-dependent kinase 4 inhibitor INHIBITOR Cyclin-dependent kinase 4 ✓ ✓
Cyclin-dependent kinase 6 inhibitor INHIBITOR Cyclin-dependent kinase 6 ✓ ✓

Indications

Small Cell Lung Carcinoma Triple Negative Breast Neoplasms Urinary Bladder Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Hemangiosarcoma Lung Neoplasms Osteosarcoma Pancreatic Neoplasms

ATC Classification

V03AF12
trilaciclib
Level 1: VARIOUS
Level 2: ALL OTHER THERAPEUTIC PRODUCTS

Activity Summary

IC50 25 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
 IC50 9.1 9.0633 0.8 3
Unchecked
CHEMBL612545
 IC50 9.1 7.5517 0.8 12
Cyclin-dependent kinase 2
CHEMBL301
 IC50 8.78 7.28 1.7 4
CDK6/cyclin D3
CHEMBL2111448
 IC50 8.4 8.325 4.0 2
Hs 683
CHEMBL612596
 IC50 7.52 7.52 30.0 1
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 4.3 4.3 50500.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.8 nM 9.1 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 0.8 nM 9.1 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Cyclin-dependent kinase 4/cyclin D1 IC50 = 0.8 nM 9.1 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Cyclin-dependent kinase 4/cyclin D1 IC50 = 0.821 nM 9.09 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 0.821 nM 9.09 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Cyclin-dependent kinase 4/cyclin D1 IC50 = 1.0 nM 9.0 Inhibition of human CDK4/cyclinD1 31477350
Unchecked IC50 = 1.0 nM 9.0 Inhibition of CDK4/cyclin D (unknown origin) 35485642
Cyclin-dependent kinase 2 IC50 = 1.66 nM 8.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Cyclin-dependent kinase 2 IC50 = 1.67 nM 8.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 1.66 nM 8.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
CDK6/cyclin D3 IC50 = 4.0 nM 8.4 Inhibition of human CDK6/cyclin D3 31477350
Unchecked IC50 = 4.0 nM 8.4 Inhibition of CDK6/Cyclin D (unknown origin) 35485642
CDK6/cyclin D3 IC50 = 5.64 nM 8.25 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 5.64 nM 8.25 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Hs 683 IC50 = 30.0 nM 7.52 Antiproliferative activity against human Hs683 cells 31477350
Cyclin-dependent kinase 2 IC50 = 1660.0 nM 5.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Cyclin-dependent kinase 2 IC50 = 1670.0 nM 5.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 1660.0 nM 5.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 1660.0 nM 5.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -
Unchecked IC50 = 1670.0 nM 5.78 Caliper Assay: Selected compounds disclosed herein were tested in CDK4/cyclinD1,... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 U2OS 5
31477350 10.1016/j.bmcl.2019.126637 Cyclin-dependent kinase 4/cyclin D1 2
35485642 10.1021/acs.jmedchem.1c02064 Unchecked 2
- 10.6019/CHEMBL5303304 HEK-293T 2
- 10.6019/CHEMBL5308504 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5308504 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5308504 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5308504 Peregrin 1
- 10.6019/CHEMBL5308504 Fibroblast growth factor receptor 3 1
- 10.6019/CHEMBL5308504 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5308504 Aurora kinase A 1
- 10.6019/CHEMBL5308504 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5308504 Glycogen synthase kinase-3 beta 1
31477350 10.1016/j.bmcl.2019.126637 Hs 683 1
- 10.6019/CHEMBL5308504 Casein kinase I isoform delta 1
- 10.6019/CHEMBL5303304 Fibroblast 1
31477350 10.1016/j.bmcl.2019.126637 Cyclin-dependent kinase 2/cyclin E1 1
31477350 10.1016/j.bmcl.2019.126637 CDK6/cyclin D3 1

Data from ChEMBL 36 via Core Engine