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Compound Detail

CHEMBL103607

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Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc(C(=O)O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103607
Phase Preclinical
Structure Type MOL
InChI Key XWXJGIHKOUPKQT-WUFINQPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
5.56
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H33N3O3
MW 507.63
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00563-X Substance-P receptor 1

Data from ChEMBL 36 via Core Engine