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Compound Detail

CHEMBL188529

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N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188529
Phase Preclinical
Structure Type MOL
InChI Key TYQYRKDGHAPZRF-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.78
ALogP
3
HBA
2
HBD
68.1
PSA (Ų)
0.71
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 C18H18N2O2
MW 294.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
15481976 10.1021/jm0311487 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine