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Compound Detail

CHEMBL1190979

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CCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190979
Phase Preclinical
Structure Type MOL
InChI Key XTNLSMGCFVIZOD-VFTOJJGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

820.0
MW (Da)
5.15
ALogP
10
HBA
3
HBD
136.7
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H61N5O7
MW 820.04
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness 1.26

Data from ChEMBL 36 via Core Engine