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Compound Detail

CHEMBL1093029

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N#Cc1ccccc1C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093029
Phase Preclinical
Structure Type MOL
InChI Key MQMNIFJCSSSPKD-LJQANCHMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.14
ALogP
3
HBA
2
HBD
90.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O3
MW 344.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.75

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20207139 10.1016/j.bmcl.2010.02.033 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine