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Compound Detail

CHEMBL1627472

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Cc1cc2cc3c(cc2o1)CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627472
Phase Preclinical
Structure Type MOL
InChI Key XNKJHGWZAQJQTG-OKSLILNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.96
ALogP
2
HBA
1
HBD
33.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O2
MW 310.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.91

Literature References

PubMed DOI Target Context # Activities
9240348 10.1021/jm9700833 HOP-62 1
9240348 10.1021/jm9700833 HCT-116 1
9240348 10.1021/jm9700833 SF-539 1
9240348 10.1021/jm9700833 UACC-62 1
9240348 10.1021/jm9700833 OVCAR-3 1
9240348 10.1021/jm9700833 SN12C 1
9240348 10.1021/jm9700833 DU-145 1
9240348 10.1021/jm9700833 MDA-MB-435 1
9240348 10.1021/jm9700833 Panel (Carcinoma cell lines) 1
9240348 10.1021/jm9700833 Tubulin 1

Data from ChEMBL 36 via Core Engine