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Compound Detail

CHEMBL1187551

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Cc1c(OC(=O)CCCCCNC(=O)[C@@H](N)C(C)C)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)OC(=O)CCCCCNC(=O)[C@H](N)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187551
Phase Preclinical
Structure Type MOL
InChI Key ZSYXVTPDFZRLCD-LOLPQYHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

992.4
MW (Da)
6.82
ALogP
12
HBA
6
HBD
224.3
PSA (Ų)
0.02
QED
4
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H85N7O8S
MW 992.38
Aromatic Rings 2
Heavy Atoms 70
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine