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Compound Detail

CHEMBL1627434

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CCC/C=C/c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627434
Phase Preclinical
Structure Type MOL
InChI Key NFBYYCSKVCPRSU-VUYBKYNYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
5.42
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32O2
MW 340.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.19

Literature References

PubMed DOI Target Context # Activities
7783135 10.1021/jm00012a003 Tubulin beta chain 2
7783135 10.1021/jm00012a003 HOP-62 1
7783135 10.1021/jm00012a003 HCT-116 1
7783135 10.1021/jm00012a003 SF-539 1
7783135 10.1021/jm00012a003 UACC-62 1
7783135 10.1021/jm00012a003 OVCAR-3 1
7783135 10.1021/jm00012a003 SN12C 1
7783135 10.1021/jm00012a003 DU-145 1
7783135 10.1021/jm00012a003 MDA-MB-435 1
7783135 10.1021/jm00012a003 Panel (Carcinoma cell lines) 1

Data from ChEMBL 36 via Core Engine