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Compound Detail

CHEMBL5560999

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Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560999
Phase Preclinical
Structure Type MOL
InChI Key NRISGKIRFKEZRQ-YBFXNURJSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
3.01
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O2
MW 305.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.47

Activity Summary

IC50 3 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
U-937
CHEMBL612794
 IC50 5.18 5.18 6530.0 1
U-266
CHEMBL2366315
 IC50 5.17 5.17 6750.0 1
OCI-AML2
CHEMBL2366220
 IC50 5.05 5.05 8980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-937 IC50 = 6530.0 nM 5.18 Antiproliferative activity against human U-937 cells incubated for 48 hrs by MTS... 38795517
U-266 IC50 = 6750.0 nM 5.17 Antiproliferative activity against human U-266 cells incubated for 48 hrs by MTS... 38795517
OCI-AML2 IC50 = 8980.0 nM 5.05 Antiproliferative activity against human OCI-AML2 cells incubated for 48 hrs by ... 38795517

Literature References

PubMed DOI Target Context # Activities
38795517 10.1016/j.ejmech.2024.116524 U-266 1
38795517 10.1016/j.ejmech.2024.116524 U-937 1
38795517 10.1016/j.ejmech.2024.116524 K562 1
38795517 10.1016/j.ejmech.2024.116524 OCI-AML2 1

Data from ChEMBL 36 via Core Engine