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Compound Detail

CHEMBL3704630

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OC1=N[C@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)N3[C@@H]2C[C@@H]3CCCC[C@@H](C3)C2)CC1

Basic Information

ChEMBL ID CHEMBL3704630
Phase Preclinical
Structure Type MOL
InChI Key OFOHXKVALJQEPL-SUJRTSPLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.7
MW (Da)
6.61
ALogP
4
HBA
1
HBD
53.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N4O
MW 474.69
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.25

Activity Summary

Ki 2 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nociceptin receptor
CHEMBL2014
Ki 9.1 9.1 0.8 1
Opioid growth factor receptor-like protein 1
CHEMBL3638334
Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine