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Compound Detail

CHEMBL24888

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COc1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1OC

Basic Information

ChEMBL ID CHEMBL24888
Phase Preclinical
Structure Type MOL
InChI Key KISBCVMWQAXCRV-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.61
ALogP
6
HBA
0
HBD
69.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O3
MW 335.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.22

Activity Summary

IC50 5 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 9.0 9.0 1.0 2
Protein farnesyltransferase
CHEMBL2095197
IC50 7.85 7.85 14.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 4.82 4.82 15000.0 1
Unchecked
CHEMBL612545
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11392531 10.1016/s0960-894x(01)00162-7 Protein farnesyltransferase 2
11392531 10.1016/s0960-894x(01)00162-7 Geranylgeranyl transferase type I 1
- 10.1039/C2MD20199B Protein farnesyltransferase 1
- 10.1039/C2MD20199B Unchecked 1

Data from ChEMBL 36 via Core Engine