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Compound Detail

CHEMBL6027874

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CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C(=O)OO)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL6027874
Phase Preclinical
Structure Type MOL
InChI Key CQVMBRZRVCWMST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
4.97
ALogP
8
HBA
3
HBD
150.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O5
MW 507.59
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.36

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine