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Compound Detail

CHEMBL4293017

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C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCN(CCCN)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293017
Phase Preclinical
Structure Type MOL
InChI Key PCGYKPOLZBEQRK-QRWPTKMDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.8
MW (Da)
7.04
ALogP
3
HBA
2
HBD
49.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H58N2O
MW 498.84
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 2.35

Literature References

PubMed DOI Target Context # Activities
29202408 10.1016/j.ejmech.2017.11.035 Mycobacterium tuberculosis 3

Data from ChEMBL 36 via Core Engine