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Compound Detail

CHEMBL347694

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CC[C@H](C)[C@H](NC(=O)CC(O)C(N)CC(C)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)OC[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347694
Phase Preclinical
Structure Type MOL
InChI Key QOXABLLYGNDOCI-QWJCFYEBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

933.2
MW (Da)
3.12
ALogP
12
HBA
7
HBD
256.4
PSA (Ų)
0.06
QED
3
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H72N8O10
MW 933.16
Aromatic Rings 3
Heavy Atoms 67
NP-Likeness -0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3279210 10.1021/jm00398a029 Renin 1

Data from ChEMBL 36 via Core Engine