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Compound Detail

CHEMBL1997340

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O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCC(O)C1

Basic Information

ChEMBL ID CHEMBL1997340
Phase Preclinical
Structure Type MOL
InChI Key GNZPMJDEUIVORU-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
1.81
ALogP
5
HBA
2
HBD
95.2
PSA (Ų)
0.75
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 C16H16N4O3
MW 312.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.86

Activity Summary

Ki 9 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 7.7 7.7 19.9 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.3 6.3 501.2 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.2 6.2 631.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 5.6 5.6 2511.9 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 5.3 5.3 5011.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 5.3 5.3 5011.9 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 5.2 5.2 6309.6 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.2 5.2 6309.6 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine