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Compound Detail

CHEMBL8916

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Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL8916
Phase Preclinical
Structure Type MOL
InChI Key KDCNGAZTEPFIKL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
3.10
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO2
MW 251.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9719582 10.1021/jm9608772 Rattus norvegicus 7
10753468 10.1021/jm990068t Mus musculus 6
10753468 10.1021/jm990068t Rattus norvegicus 6
9719582 10.1021/jm9608772 Mus musculus 4
16183272 10.1016/j.bmcl.2005.08.086 HUVEC 3
15603947 10.1016/j.bmcl.2004.10.072 HL-60 3
9719582 10.1021/jm9608772 ADMET 2
10098663 10.1016/s0960-894x(99)00034-7 Dipeptidyl peptidase 4 2
9288167 10.1021/jm970109q HL-60 2
24169233 10.1016/j.bmcl.2013.09.084 PC-3 1
9464355 10.1021/jm970624o Aminopeptidase N 1
9288167 10.1021/jm970109q WI-38 1
10098663 10.1016/s0960-894x(99)00034-7 NON-PROTEIN TARGET 1
10098663 10.1016/s0960-894x(99)00034-7 Aminopeptidase N 1
11909713 10.1016/s0960-894x(02)00084-7 Prostaglandin G/H synthase 2 1
11909713 10.1016/s0960-894x(02)00084-7 Prostaglandin G/H synthase 1 1
9719582 10.1021/jm9608772 Unchecked 1

Data from ChEMBL 36 via Core Engine