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Compound Detail

CHEMBL5902562

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CC1(C)CC=C(c2nc([C@@H]3CC(C)(C)O[C@](C)(C(=O)O)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5902562
Phase Preclinical
Structure Type MOL
InChI Key MZZYKYGSHDFBTD-CRYYWNKWSA-N
2
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
5.04
ALogP
6
HBA
3
HBD
141.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O4
MW 491.59
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.23

Activity Summary

IC50 14 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.7 8.525 2.0 8
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.66 7.5467 2.2 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2.0 nM 8.7 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Unchecked IC50 = 2.0 nM 8.7 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 2.0 nM 8.7 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Macrophage colony-stimulating factor 1 receptor IC50 = 2.2 nM 8.66 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Unchecked IC50 = 2.2 nM 8.66 c-Fms Enzyme Assay: In this assay, recombinant human, dog or rat c-fms catalyzed... -
Macrophage colony-stimulating factor 1 receptor IC50 = 2.2 nM 8.66 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 2.2 nM 8.66 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Macrophage colony-stimulating factor 1 receptor IC50 = 2.2 nM 8.66 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Unchecked IC50 = 2.2 nM 8.66 Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format): In this... -
Macrophage colony-stimulating factor 1 receptor IC50 = 7.1 nM 8.15 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 8.0 nM 8.1 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Unchecked IC50 = 9.6 nM 8.02 Human, Dog and Rat c-Fms Enzyme Assay: Materials:Human c-fms protein (N-terminal... -
Macrophage colony-stimulating factor 1 receptor IC50 = 2370.0 nM 5.62 Inhibition of CSF-1 Induced Monocyte MCP-1 Expression Cell Based Assay: Represen... -
Macrophage colony-stimulating factor 1 receptor IC50 = 2930.0 nM 5.53 Inhibition of CSF-1 Induced Monocyte MCP-1 Expression Cell Based Assay: Represen... -

Data from ChEMBL 36 via Core Engine