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Compound Detail

CHEMBL3786388

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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC[S+](C)[O-])NC1=O

Basic Information

ChEMBL ID CHEMBL3786388
Phase Preclinical
Structure Type MOL
InChI Key IWEUOAFIXUXUNB-XGFDYRAGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

977.3
MW (Da)
2.43
ALogP
9
HBA
7
HBD
247.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C51H76N8O9S
MW 977.28
Aromatic Rings 2
Heavy Atoms 69
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
26923696 10.1016/j.bmcl.2016.02.040 ADMET 1
26923696 10.1016/j.bmcl.2016.02.040 Bone marrow cell 1

Data from ChEMBL 36 via Core Engine