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Compound Detail

CHEMBL4802161

DALPICICLIB
🧪 Phase III
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🧪 Phase III
CC(=O)c1c(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802161
Name DALPICICLIB
Phase Phase III
Structure Type MOL
InChI Key SGJLSPUSUBJWHO-UHFFFAOYSA-N

Known Names

Dalpiciclib Shr-6390
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
12
Indications

Molecular Properties

446.6
MW (Da)
4.02
ALogP
8
HBA
2
HBD
101.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ciclib

Extended Properties

Molecular Formula C25H30N6O2
MW 446.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.64

Indications

Breast Neoplasms Breast Neoplasms Carcinoma, Squamous Cell Esophageal Neoplasms Nasopharyngeal Carcinoma Neoplasms Ovarian Neoplasms Pancreatic Neoplasms Sarcoma Liver Diseases Melanoma Stomach Neoplasms

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.89 7.82 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13.0 nM 7.89 Inhibition of CDK4/cyclin D (unknown origin) 35485642
Unchecked IC50 = 18.0 nM 7.75 Inhibition of CDK6/Cyclin D (unknown origin) 35485642

Literature References

PubMed DOI Target Context # Activities
35485642 10.1021/acs.jmedchem.1c02064 Unchecked 2

Data from ChEMBL 36 via Core Engine