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Compound Detail

CHEMBL1775018

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CC(C)CCC(=O)[C@@H](C)[C@@]1(O)[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775018
Phase Preclinical
Structure Type MOL
InChI Key NADGMNRIXBCKSF-SCDYPVRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.65
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H44O4
MW 432.65
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.43

Literature References

PubMed DOI Target Context # Activities
21438635 10.1021/jm101648h CCRF-CEM 1
21438635 10.1021/jm101648h MCF7 1
21438635 10.1021/jm101648h G-361 1
21438635 10.1021/jm101648h HeLa 1
21438635 10.1021/jm101648h HOS 1
21438635 10.1021/jm101648h A549 1
21438635 10.1021/jm101648h NON-PROTEIN TARGET 1
21438635 10.1021/jm101648h HCT-116 1
21438635 10.1021/jm101648h BJ 1

Data from ChEMBL 36 via Core Engine