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Compound Detail

CHEMBL2369712

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL2369712
Phase Preclinical
Structure Type BOTH
InChI Key IFIKNQQQCVILSJ-VVKPWJFGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

821.0
MW (Da)
0.16
ALogP
9
HBA
9
HBD
290.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H56N10O9
MW 820.95
Aromatic Rings 3
Heavy Atoms 59
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00152-J Endothelin-1 receptor 1
- 10.1016/0960-894X(95)00152-J Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine