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Compound Detail

CHEMBL29993

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O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29993
Phase Preclinical
Structure Type MOL
InChI Key SSKLJKVODOLJRC-UIOOFZCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
5.07
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O2
MW 412.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
7490729 10.1021/jm00024a007 Substance-P receptor 1
- 10.1016/S0960-894X(00)80349-2 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine