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Compound Detail

CHEMBL1977294

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CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)CNCCCO)n2Cc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL1977294
Phase Preclinical
Structure Type MOL
InChI Key MTUYEDAOTOYINR-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

515.2
MW (Da)
7.90
ALogP
4
HBA
2
HBD
37.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H43ClN2OS
MW 515.21
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.44

Activity Summary

Ki 7 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PAK 1
CHEMBL4600
Ki 5.7 5.7 1995.3 1
Protein kinase C delta type
CHEMBL2996
Ki 5.6 5.6 2511.9 1
Protein kinase C gamma type
CHEMBL2938
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 5.2 5.2 6309.6 1
Calcium/calmodulin-dependent protein kinase type 1
CHEMBL2493
Ki 5.1 5.1 7943.3 1
Protein kinase C zeta type
CHEMBL3438
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine