Details of the Drug

General Information of Drug (ID: DM8BLK2)

Drug Name

4-cyclohexyliden(4-hydroxyphenyl)methylphenol

Synonyms

4,4'-(cyclohexylidenemethylene)diphenol; 5189-40-2; Cyclofenil diphenol; 4,4'-Cyclohexylidenemethylenediphenol; UNII-00W4083OML; EINECS 225-972-5; BRN 2055864; F 6060; 4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenol; 4-(Cyclohexylidene(4-hydroxyphenyl)methyl)phenol; 00W4083OML; 4,4-Cyclohexylidenemethylenediphenol; Phenol, 4-(cyclohexylidene(4-hydroxyphenyl)methyl)-; alpha-Cyclohexylidene-alpha-(p-hydroxyphenyl)-p-cresol; p-CRESOL, alpha-CYCLOHEXYLIDENE-alpha-(p-HYDROXYPHENYL)-; AC1L2HYB

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

280.4

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H20O2
IUPAC Name: 4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenol
Canonical SMILES: C1CCC(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)CC1
InChI: InChI=1S/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2
InChIKey: POEZOFHZEJTFHF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 21260
CAS Number: 5189-40-2
TTD ID: D0V9SW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C alpha (PRKCA)	TTFJ8Q1	KPCA_HUMAN	Inhibitor	[1]
Protein kinase C beta (PRKCB)	TTYPXQF	KPCB_HUMAN	Inhibitor	[1]
Protein kinase C delta (PRKCD)	TT9WJ8U	KPCD_HUMAN	Inhibitor	[1]
Protein kinase C epsilon (PRKCE)	TTBZ7OD	KPCE_HUMAN	Inhibitor	[1]
Protein kinase C gamma (PRKCG)	TTRFOXJ	KPCG_HUMAN	Inhibitor	[1]
Protein kinase C theta (PRKCQ)	TT8QL1J	KPCT_HUMAN	Inhibitor	[1]
Protein kinase C zeta (PRKCZ)	TTUWGRA	KPCZ_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Protein kinase C zeta (PRKCZ)	DTT	PRKCZ	5.78E-42	0.75	0.9
Protein kinase C gamma (PRKCG)	DTT	PRKCG	5.25E-10	-0.07	-0.35
Protein kinase C epsilon (PRKCE)	DTT	PRKCE	8.86E-15	-0.17	-0.53
Protein kinase C delta (PRKCD)	DTT	PRKCD	1.25E-22	0.59	0.82
Protein kinase C theta (PRKCQ)	DTT	PRKCQ	6.55E-09	0.05	0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Multivariate analysis by the minimum spanning tree method of the structural determinants of diphenylethylenes and triphenylacrylonitriles implicate... J Med Chem. 1992 Feb 7;35(3):573-83.