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Compound Detail

CHEMBL56236

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Cc1cc(C)c(C)c(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1C

Basic Information

ChEMBL ID CHEMBL56236
Phase Preclinical
Structure Type MOL
InChI Key NNYHIJGVHOAIGK-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.43
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N6O
MW 392.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.67

Activity Summary

IC50 5 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.15 6.15 710.0 2
Fibroblast growth factor receptor
CHEMBL2095217
IC50 6.11 6.11 780.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 5.17 5.17 6680.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9240345 10.1021/jm970367n Platelet-derived growth factor receptor (PDGFr) 2
9240345 10.1021/jm970367n Fibroblast growth factor receptor 1
9240345 10.1021/jm970367n Epidermal growth factor receptor 1
9240345 10.1021/jm970367n Proto-oncogene tyrosine-protein kinase Src 1
9240345 10.1021/jm970367n Insulin receptor 1
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/S0960-894X(97)00445-9 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/S0960-894X(97)00445-9 Mitogen-activated protein kinase; ERK1/ERK2 1
- 10.1016/S0960-894X(97)00445-9 Cyclin-dependent kinase 4 1
- 10.1016/S0960-894X(97)00445-9 Epidermal growth factor receptor 1
- 10.1016/S0960-894X(97)00445-9 Insulin receptor 1
- 10.1016/S0960-894X(97)00445-9 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(97)00445-9 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(97)00445-9 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine